N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C96H112N30O11 — CID 157240109

IUPACN-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncccc23)nn2c(C(=O)N[C@H]3CC[C@H]3O)cnc12.CNc1cc(-c2cn(C3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@H]3CC[C@H]3O)cnc12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@@H]3CC[C@@H]3O)cnc12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@H]3CC[C@H]3O)cnc12
InChIInChI=1S/2C25H30N8O3.C24H27N7O3.C22H25N7O2/c2*1-26-20-13-19(30-33-21(14-28-24(20)33)25(35)29-18-4-5-22(18)34)17-15-32(23-16(17)3-2-6-27-23)8-7-31-9-11-36-12-10-31;1-25-19-11-18(29-31-20(12-27-23(19)31)24(33)28-17-4-5-21(17)32)16-13-30(14-6-9-34-10-7-14)22-15(16)3-2-8-26-22;1-12(2)28-11-14(13-5-4-8-24-20(13)28)16-9-17(23-3)21-25-10-18(29(21)27-16)22(31)26-15-6-7-19(15)30/h2*2-3,6,13-15,18,22,26,34H,4-5,7-12H2,1H3,(H,29,35);2-3,8,11-14,17,21,25,32H,4-7,9-10H2,1H3,(H,28,33);4-5,8-12,15,19,23,30H,6-7H2,1-3H3,(H,26,31)/t2*18-,22+;17-,21+;15-,19+/m1000/s1
InChIKeyAVCLOYLMJXFOFE-KHONKILJSA-N
MW1862.15 g/mol
LogP7.76
Rot. Bonds24

About N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide

N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 157240109) has the molecular formula C96H112N30O11 and a molecular weight of 1862.15 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID157240109
Molecular FormulaC96H112N30O11
Molecular Weight1862.15 g/mol
Exact Mass1860.91
IUPAC NameN-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncccc23)nn2c(C(=O)N[C@H]3CC[C@H]3O)cnc12.CNc1cc(-c2cn(C3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@H]3CC[C@H]3O)cnc12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@@H]3CC[C@@H]3O)cnc12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@H]3CC[C@H]3O)cnc12
InChIInChI=1S/2C25H30N8O3.C24H27N7O3.C22H25N7O2/c2*1-26-20-13-19(30-33-21(14-28-24(20)33)25(35)29-18-4-5-22(18)34)17-15-32(23-16(17)3-2-6-27-23)8-7-31-9-11-36-12-10-31;1-25-19-11-18(29-31-20(12-27-23(19)31)24(33)28-17-4-5-21(17)32)16-13-30(14-6-9-34-10-7-14)22-15(16)3-2-8-26-22;1-12(2)28-11-14(13-5-4-8-24-20(13)28)16-9-17(23-3)21-25-10-18(29(21)27-16)22(31)26-15-6-7-19(15)30/h2*2-3,6,13-15,18,22,26,34H,4-5,7-12H2,1H3,(H,29,35);2-3,8,11-14,17,21,25,32H,4-7,9-10H2,1H3,(H,28,33);4-5,8-12,15,19,23,30H,6-7H2,1-3H3,(H,26,31)/t2*18-,22+;17-,21+;15-,19+/m1000/s1
InChIKeyAVCLOYLMJXFOFE-KHONKILJSA-N
XLogP7.76
TPSA471.65 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms137
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001862.15
LogP ≤ 57.76
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 157240109) is N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3ncccc23)nn2c(C(=O)N[C@H]3CC[C@H]3O)cnc12.CNc1cc(-c2cn(C3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@H]3CC[C@H]3O)cnc12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@@H]3CC[C@@H]3O)cnc12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)N[C@H]3CC[C@H]3O)cnc12.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is AVCLOYLMJXFOFE-KHONKILJSA-N. The full InChI is InChI=1S/2C25H30N8O3.C24H27N7O3.C22H25N7O2/c2*1-26-20-13-19(30-33-21(14-28-24(20)33)25(35)29-18-4-5-22(18)34)17-15-32(23-16(17)3-2-6-27-23)8-7-31-9-11-36-12-10-31;1-25-19-11-18(29-31-20(12-27-23(19)31)24(33)28-17-4-5-21(17)32)16-13-30(14-6-9-34-10-7-14)22-15(16)3-2-8-26-22;1-12(2)28-11-14(13-5-4-8-24-20(13)28)16-9-17(23-3)21-25-10-18(29(21)27-16)22(31)26-15-6-7-19(15)30/h2*2-3,6,13-15,18,22,26,34H,4-5,7-12H2,1H3,(H,29,35);2-3,8,11-14,17,21,25,32H,4-7,9-10H2,1H3,(H,28,33);4-5,8-12,15,19,23,30H,6-7H2,1-3H3,(H,26,31)/t2*18-,22+;17-,21+;15-,19+/m1000/s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 1862.15 g/mol, XLogP of 7.76, 24 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 157240109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).