trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

C16H16N6O — CID 139469104

IUPACtrans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3)nc(N)c2cn1
InChIInChI=1S/C16H16N6O/c1-8-2-11(8)16(23)22-14-4-9-3-13(10-5-19-20-6-10)21-15(17)12(9)7-18-14/h3-8,11H,2H2,1H3,(H2,17,21)(H,19,20)(H,18,22,23)/t8-,11-/m1/s1
InChIKeySIPVCLVURCXDIA-LDYMZIIASA-N
MW308.35 g/mol
LogP2.20
Rot. Bonds3

About trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 139469104) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID139469104
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3)nc(N)c2cn1
InChIInChI=1S/C16H16N6O/c1-8-2-11(8)16(23)22-14-4-9-3-13(10-5-19-20-6-10)21-15(17)12(9)7-18-14/h3-8,11H,2H2,1H3,(H2,17,21)(H,19,20)(H,18,22,23)/t8-,11-/m1/s1
InChIKeySIPVCLVURCXDIA-LDYMZIIASA-N
XLogP2.20
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-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-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 139469104) is trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3)nc(N)c2cn1.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is SIPVCLVURCXDIA-LDYMZIIASA-N. The full InChI is InChI=1S/C16H16N6O/c1-8-2-11(8)16(23)22-14-4-9-3-13(10-5-19-20-6-10)21-15(17)12(9)7-18-14/h3-8,11H,2H2,1H3,(H2,17,21)(H,19,20)(H,18,22,23)/t8-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 139469104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).