N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C26H31N7O4 — CID 154605225

IUPACN-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(-c2cn([C@H]3CCOC[C@@H]3OC)c3ncccc23)nn2c(C(=O)N[C@@H]3CC[C@H]3OC)cnc12
InChIInChI=1S/C26H31N7O4/c1-27-19-11-18(31-33-21(12-29-25(19)33)26(34)30-17-6-7-22(17)35-2)16-13-32(24-15(16)5-4-9-28-24)20-8-10-37-14-23(20)36-3/h4-5,9,11-13,17,20,22-23,27H,6-8,10,14H2,1-3H3,(H,30,34)/t17-,20+,22-,23+/m1/s1
InChIKeyLEMBAJFILHHKKY-TZMOSPSESA-N
MW505.58 g/mol
LogP2.67
Rot. Bonds7

About N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 154605225) has the molecular formula C26H31N7O4 and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID154605225
Molecular FormulaC26H31N7O4
Molecular Weight505.58 g/mol
Exact Mass505.24
IUPAC NameN-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(-c2cn([C@H]3CCOC[C@@H]3OC)c3ncccc23)nn2c(C(=O)N[C@@H]3CC[C@H]3OC)cnc12
InChIInChI=1S/C26H31N7O4/c1-27-19-11-18(31-33-21(12-29-25(19)33)26(34)30-17-6-7-22(17)35-2)16-13-32(24-15(16)5-4-9-28-24)20-8-10-37-14-23(20)36-3/h4-5,9,11-13,17,20,22-23,27H,6-8,10,14H2,1-3H3,(H,30,34)/t17-,20+,22-,23+/m1/s1
InChIKeyLEMBAJFILHHKKY-TZMOSPSESA-N
XLogP2.67
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559988
2-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 154661651
methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154661516
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
5-[1-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560178
5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560436
N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167631690
N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605307
N-[(1S,2R)-2-fluorocyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560762
7-[benzyl(methyl)amino]-5-[1-[(3S,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146560314
N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569673
5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559957

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 154605225) is N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(-c2cn([C@H]3CCOC[C@@H]3OC)c3ncccc23)nn2c(C(=O)N[C@@H]3CC[C@H]3OC)cnc12.
What is the InChIKey of N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is LEMBAJFILHHKKY-TZMOSPSESA-N. The full InChI is InChI=1S/C26H31N7O4/c1-27-19-11-18(31-33-21(12-29-25(19)33)26(34)30-17-6-7-22(17)35-2)16-13-32(24-15(16)5-4-9-28-24)20-8-10-37-14-23(20)36-3/h4-5,9,11-13,17,20,22-23,27H,6-8,10,14H2,1-3H3,(H,30,34)/t17-,20+,22-,23+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 505.58 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 154605225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).