N-[(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

C25H30N8O3 — CID 154661645

IUPACN-[(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
SMILESCNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)NC3CC[C@H]3O)cnc12
InChIInChI=1S/C25H30N8O3/c1-26-20-13-19(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/h2-3,6,13-15,18,22,26,34H,4-5,7-12H2,1H3,(H,29,35)/t18?,22-/m1/s1
InChIKeyNTYGUADHDSVVIK-LMNIDFBRSA-N
MW490.57 g/mol
LogP1.37
Rot. Bonds7

About N-[(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-[(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 (PubChem CID 154661645) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[(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.

Molecular Properties

Compound NameN-[(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
PubChem CID154661645
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC NameN-[(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
SMILESCNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)NC3CC[C@H]3O)cnc12
InChIInChI=1S/C25H30N8O3/c1-26-20-13-19(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/h2-3,6,13-15,18,22,26,34H,4-5,7-12H2,1H3,(H,29,35)/t18?,22-/m1/s1
InChIKeyNTYGUADHDSVVIK-LMNIDFBRSA-N
XLogP1.37
TPSA121.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo[1(2H),2'-bipyridin]-3-yl)amino]-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441492
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
GSK-3|A inhibitor 13
CID 134551592
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid (2-diethylamino-[1,2,4]triazolo [1,5-a]pyridin-6-yl)-amide
CID 71538688
N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138376590
US10774086, Example 17
CID 134551553
US10774086, Example 13
CID 134551589
US10774086, Example 18
CID 134551945
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441496
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441521
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449200
5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449220

Frequently Asked Questions

What is the IUPAC name of N-[(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?
The IUPAC name of N-[(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 (CID 154661645) is N-[(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.
What is the SMILES notation for N-[(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?
The canonical SMILES for N-[(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 is CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nn2c(C(=O)NC3CC[C@H]3O)cnc12.
What is the InChIKey of N-[(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?
The InChIKey is NTYGUADHDSVVIK-LMNIDFBRSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-26-20-13-19(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/h2-3,6,13-15,18,22,26,34H,4-5,7-12H2,1H3,(H,29,35)/t18?,22-/m1/s1.
What are the key properties of N-[(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-[(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 has a molecular weight of 490.57 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(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 is sourced from PubChem (CID 154661645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).