1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide

C23H23N9O3 — CID 158942204

IUPAC1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide
SMILESCN1CCc2cc(Nc3cc4cc(C(=O)N(C)C5=CN=CC(=O)C5)nc(N)c4cn3)nn2CC1=O
InChIInChI=1S/C23H23N9O3/c1-30-4-3-14-8-20(29-32(14)12-21(30)34)28-19-6-13-5-18(27-22(24)17(13)11-26-19)23(35)31(2)15-7-16(33)10-25-9-15/h5-6,8-11H,3-4,7,12H2,1-2H3,(H2,24,27)(H,26,28,29)
InChIKeyJKJSLYUGCFXVSU-UHFFFAOYSA-N
MW473.50 g/mol
LogP1.12
Rot. Bonds4

About 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide

1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide (PubChem CID 158942204) has the molecular formula C23H23N9O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide
PubChem CID158942204
Molecular FormulaC23H23N9O3
Molecular Weight473.50 g/mol
Exact Mass473.19
IUPAC Name1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide
SMILESCN1CCc2cc(Nc3cc4cc(C(=O)N(C)C5=CN=CC(=O)C5)nc(N)c4cn3)nn2CC1=O
InChIInChI=1S/C23H23N9O3/c1-30-4-3-14-8-20(29-32(14)12-21(30)34)28-19-6-13-5-18(27-22(24)17(13)11-26-19)23(35)31(2)15-7-16(33)10-25-9-15/h5-6,8-11H,3-4,7,12H2,1-2H3,(H2,24,27)(H,26,28,29)
InChIKeyJKJSLYUGCFXVSU-UHFFFAOYSA-N
XLogP1.12
TPSA151.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
7-[5-Methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604256
(R)-3-Methyl-7-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-2-((6-methylpyridin-2-yl)methyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 122604287
(3S)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604354
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[4,6-dimethyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 118733351
3-Methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 137647232
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
Pyridine-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11405070
N-[3,4-dioxo-1-phenyl-4-(propylamino)butan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53311607
N-[4-(ethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 66720010
N-[4-(methylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238226
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]pyridine-3-carboxamide
CID 71768848

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide?
The IUPAC name of 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide (CID 158942204) is 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide is CN1CCc2cc(Nc3cc4cc(C(=O)N(C)C5=CN=CC(=O)C5)nc(N)c4cn3)nn2CC1=O.
What is the InChIKey of 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide?
The InChIKey is JKJSLYUGCFXVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O3/c1-30-4-3-14-8-20(29-32(14)12-21(30)34)28-19-6-13-5-18(27-22(24)17(13)11-26-19)23(35)31(2)15-7-16(33)10-25-9-15/h5-6,8-11H,3-4,7,12H2,1-2H3,(H2,24,27)(H,26,28,29).
What are the key properties of 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide?
1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-6-[(6-methyl-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]-N-(5-oxo-4H-pyridin-3-yl)-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 158942204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).