N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

C24H25N5O3 — CID 150962121

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCn1ccc2c(Cc3ccc(-n4cccn4)cc3)cc(C(=O)N[C@H]3CCOC[C@@H]3O)nc21
InChIInChI=1S/C24H25N5O3/c1-28-11-7-19-17(13-16-3-5-18(6-4-16)29-10-2-9-25-29)14-21(26-23(19)28)24(31)27-20-8-12-32-15-22(20)30/h2-7,9-11,14,20,22,30H,8,12-13,15H2,1H3,(H,27,31)/t20-,22-/m0/s1
InChIKeyLMIBJDFIGPHRAD-UNMCSNQZSA-N
MW431.50 g/mol
LogP2.23
Rot. Bonds5

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 150962121) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID150962121
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCn1ccc2c(Cc3ccc(-n4cccn4)cc3)cc(C(=O)N[C@H]3CCOC[C@@H]3O)nc21
InChIInChI=1S/C24H25N5O3/c1-28-11-7-19-17(13-16-3-5-18(6-4-16)29-10-2-9-25-29)14-21(26-23(19)28)24(31)27-20-8-12-32-15-22(20)30/h2-7,9-11,14,20,22,30H,8,12-13,15H2,1H3,(H,27,31)/t20-,22-/m0/s1
InChIKeyLMIBJDFIGPHRAD-UNMCSNQZSA-N
XLogP2.23
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-fluorophenyl)methyl]-N-(3-hydroxyoxan-4-yl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 134306736
N-[(3S,4S)-4-hydroxyoxan-3-yl]-5,6-dimethyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017457
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]quinoline-2-carboxamide
CID 53307086
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 129017479
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 147405286
1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 151334705
2-[4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridin-6-yl]-N-[(3S,4S)-4-hydroxyoxan-3-yl]acetamide
CID 153324629
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 134312498
N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 142297464
N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129045248
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(imidazo[1,2-a]pyridin-7-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 54767683
8-fluoro-N-(3-hydroxyoxan-4-yl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]quinoline-2-carboxamide
CID 67322650

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (CID 150962121) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is Cn1ccc2c(Cc3ccc(-n4cccn4)cc3)cc(C(=O)N[C@H]3CCOC[C@@H]3O)nc21.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is LMIBJDFIGPHRAD-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-28-11-7-19-17(13-16-3-5-18(6-4-16)29-10-2-9-25-29)14-21(26-23(19)28)24(31)27-20-8-12-32-15-22(20)30/h2-7,9-11,14,20,22,30H,8,12-13,15H2,1H3,(H,27,31)/t20-,22-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 150962121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).