N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide

C27H20N6O2 — CID 54575484

IUPACN-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2c[nH]c(=O)c3cc(-c4c[nH]c5ncccc45)cn23)cc1)c1cccnc1
InChIInChI=1S/C27H20N6O2/c34-26(18-3-1-9-28-13-18)32-20-7-5-17(6-8-20)11-21-14-31-27(35)24-12-19(16-33(21)24)23-15-30-25-22(23)4-2-10-29-25/h1-10,12-16H,11H2,(H,29,30)(H,31,35)(H,32,34)
InChIKeyOICCNZYJPIMFEN-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.41
Rot. Bonds5

About N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide

N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 54575484) has the molecular formula C27H20N6O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide
PubChem CID54575484
Molecular FormulaC27H20N6O2
Molecular Weight460.50 g/mol
Exact Mass460.16
IUPAC NameN-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2c[nH]c(=O)c3cc(-c4c[nH]c5ncccc45)cn23)cc1)c1cccnc1
InChIInChI=1S/C27H20N6O2/c34-26(18-3-1-9-28-13-18)32-20-7-5-17(6-8-20)11-21-14-31-27(35)24-12-19(16-33(21)24)23-15-30-25-22(23)4-2-10-29-25/h1-10,12-16H,11H2,(H,29,30)(H,31,35)(H,32,34)
InChIKeyOICCNZYJPIMFEN-UHFFFAOYSA-N
XLogP4.41
TPSA107.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

3-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]benzamide
CID 54575303
4-[(4-aminophenyl)methyl]-2-[(2,4-dimethoxyphenyl)methyl]-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[1,2-a]pyrazin-1-one
CID 67441940
N-(6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
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N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10222445
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 176910347
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide (CID 54575484) is N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Cc2c[nH]c(=O)c3cc(-c4c[nH]c5ncccc45)cn23)cc1)c1cccnc1.
What is the InChIKey of N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is OICCNZYJPIMFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6O2/c34-26(18-3-1-9-28-13-18)32-20-7-5-17(6-8-20)11-21-14-31-27(35)24-12-19(16-33(21)24)23-15-30-25-22(23)4-2-10-29-25/h1-10,12-16H,11H2,(H,29,30)(H,31,35)(H,32,34).
What are the key properties of N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide?
N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-oxo-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 54575484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).