N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole

C29H29N7O — CID 142447804

IUPACN-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole
SMILESCc1ccnc(Cc2ccccc2)c1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1.Cn1cccn1
InChIInChI=1S/C25H23N5O.C4H6N2/c1-15-9-10-27-20(11-16-5-3-2-4-6-16)23(15)21-12-18-13-22(30-25(31)17-7-8-17)28-14-19(18)24(26)29-21;1-6-4-2-3-5-6/h2-6,9-10,12-14,17H,7-8,11H2,1H3,(H2,26,29)(H,28,30,31);2-4H,1H3
InChIKeyLQNYBDARXAGJHV-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.94
Rot. Bonds5

About N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole

N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole (PubChem CID 142447804) has the molecular formula C29H29N7O and a molecular weight of 491.60 g/mol. Its IUPAC name is N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole.

Molecular Properties

Compound NameN-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole
PubChem CID142447804
Molecular FormulaC29H29N7O
Molecular Weight491.60 g/mol
Exact Mass491.24
IUPAC NameN-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole
SMILESCc1ccnc(Cc2ccccc2)c1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1.Cn1cccn1
InChIInChI=1S/C25H23N5O.C4H6N2/c1-15-9-10-27-20(11-16-5-3-2-4-6-16)23(15)21-12-18-13-22(30-25(31)17-7-8-17)28-14-19(18)24(26)29-21;1-6-4-2-3-5-6/h2-6,9-10,12-14,17H,7-8,11H2,1H3,(H2,26,29)(H,28,30,31);2-4H,1H3
InChIKeyLQNYBDARXAGJHV-UHFFFAOYSA-N
XLogP4.94
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

trans-(1S,2S)-N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 139468977
N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
N-(8-amino-6-pyridin-3-yl-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 142447490
4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide
CID 142447727
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
(1S,2R,3S)-N-[8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344646
N-[8-methyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 142447484
trans-(1R,2R)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-chloro-6-fluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 159778719
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
CID 140921107
4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
cis-(1R,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344871

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole?
The IUPAC name of N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole (CID 142447804) is N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole.
What is the SMILES notation for N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole?
The canonical SMILES for N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole is Cc1ccnc(Cc2ccccc2)c1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1.Cn1cccn1.
What is the InChIKey of N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole?
The InChIKey is LQNYBDARXAGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O.C4H6N2/c1-15-9-10-27-20(11-16-5-3-2-4-6-16)23(15)21-12-18-13-22(30-25(31)17-7-8-17)28-14-19(18)24(26)29-21;1-6-4-2-3-5-6/h2-6,9-10,12-14,17H,7-8,11H2,1H3,(H2,26,29)(H,28,30,31);2-4H,1H3.
What are the key properties of N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole?
N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole has a molecular weight of 491.60 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(2-benzyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1-methylpyrazole is sourced from PubChem (CID 142447804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).