trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide

C42H38N14O2 — CID 157449217

IUPACtrans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3ccn[nH]3)ncc2c(N)n1.Cc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3ccn[nH]3)ncc2c(N)n1
InChIInChI=1S/2C21H19N7O/c2*1-11-2-4-23-9-15(11)18-6-12-7-19(24-10-16(12)20(22)26-18)27-21(29)14-8-13(14)17-3-5-25-28-17/h2*2-7,9-10,13-14H,8H2,1H3,(H2,22,26)(H,25,28)(H,24,27,29)/t2*13-,14-/m10/s1
InChIKeyBSPHKIKNQJJPQI-ATLWNKLRSA-N
MW770.86 g/mol
LogP6.10
Rot. Bonds8

About trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 157449217) has the molecular formula C42H38N14O2 and a molecular weight of 770.86 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
PubChem CID157449217
Molecular FormulaC42H38N14O2
Molecular Weight770.86 g/mol
Exact Mass770.33
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3ccn[nH]3)ncc2c(N)n1.Cc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3ccn[nH]3)ncc2c(N)n1
InChIInChI=1S/2C21H19N7O/c2*1-11-2-4-23-9-15(11)18-6-12-7-19(24-10-16(12)20(22)26-18)27-21(29)14-8-13(14)17-3-5-25-28-17/h2*2-7,9-10,13-14H,8H2,1H3,(H2,22,26)(H,25,28)(H,24,27,29)/t2*13-,14-/m10/s1
InChIKeyBSPHKIKNQJJPQI-ATLWNKLRSA-N
XLogP6.10
TPSA244.94 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500770.86
LogP ≤ 56.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[7-(5-fluoro-2-methylphenyl)-5-(1H-pyrazol-4-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115145
N-[7-(5-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71128067
trans-(1S,2S)-N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 135342823
trans-N-(8-amino-5-fluoro-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropanecarboxamide
CID 135344721
trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344914
(1S,2S)-N-(8-amino-5-fluoro-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135345186
trans-N-(8-amino-6-(5-fluoro-2-methylphenyl)-2,7-naphthyridin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropanecarboxamide
CID 139468549
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea
CID 92044739
(1S,2S,3S)-N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-methyl-3-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 135342337
(1R,2R,3R)-N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-methyl-3-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 135342623
(1S,2R,3S)-N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-methyl-3-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 135342847
(1R,2S,3R)-N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-methyl-3-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 135343076

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide (CID 157449217) is trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide is Cc1ccncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3ccn[nH]3)ncc2c(N)n1.Cc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3ccn[nH]3)ncc2c(N)n1.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is BSPHKIKNQJJPQI-ATLWNKLRSA-N. The full InChI is InChI=1S/2C21H19N7O/c2*1-11-2-4-23-9-15(11)18-6-12-7-19(24-10-16(12)20(22)26-18)27-21(29)14-8-13(14)17-3-5-25-28-17/h2*2-7,9-10,13-14H,8H2,1H3,(H2,22,26)(H,25,28)(H,24,27,29)/t2*13-,14-/m10/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 770.86 g/mol, XLogP of 6.10, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157449217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).