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

C25H23N9O — CID 135345236

IUPACtrans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-n2cccn2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C25H23N9O/c1-14-6-23(34-5-3-4-29-34)28-11-19(14)21-7-15-8-22(27-12-20(15)24(26)31-21)32-25(35)18-9-17(18)16-10-30-33(2)13-16/h3-8,10-13,17-18H,9H2,1-2H3,(H2,26,31)(H,27,32,35)/t17-,18+/m1/s1
InChIKeyMLTAIUYQMHTHDW-MSOLQXFVSA-N
MW465.52 g/mol
LogP3.24
Rot. Bonds5

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

trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135345236) has the molecular formula C25H23N9O and a molecular weight of 465.52 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135345236
Molecular FormulaC25H23N9O
Molecular Weight465.52 g/mol
Exact Mass465.20
IUPAC Nametrans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-n2cccn2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C25H23N9O/c1-14-6-23(34-5-3-4-29-34)28-11-19(14)21-7-15-8-22(27-12-20(15)24(26)31-21)32-25(35)18-9-17(18)16-10-30-33(2)13-16/h3-8,10-13,17-18H,9H2,1-2H3,(H2,26,31)(H,27,32,35)/t17-,18+/m1/s1
InChIKeyMLTAIUYQMHTHDW-MSOLQXFVSA-N
XLogP3.24
TPSA129.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135345236) is trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(-n2cccn2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is MLTAIUYQMHTHDW-MSOLQXFVSA-N. The full InChI is InChI=1S/C25H23N9O/c1-14-6-23(34-5-3-4-29-34)28-11-19(14)21-7-15-8-22(27-12-20(15)24(26)31-21)32-25(35)18-9-17(18)16-10-30-33(2)13-16/h3-8,10-13,17-18H,9H2,1-2H3,(H2,26,31)(H,27,32,35)/t17-,18+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[8-amino-6-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135345236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).