cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C21H16N8O — CID 135345107

IUPACcis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnccc3-c3cn[nH]c3)nc(N)c2cn1
InChIInChI=1S/C21H16N8O/c22-6-12-3-15(12)21(30)29-19-5-11-4-18(28-20(23)16(11)10-25-19)17-9-24-2-1-14(17)13-7-26-27-8-13/h1-2,4-5,7-10,12,15H,3H2,(H2,23,28)(H,26,27)(H,25,29,30)/t12-,15+/m1/s1
InChIKeyFEYINKHCVYSUIF-DOMZBBRYSA-N
MW396.41 g/mol
LogP2.76
Rot. Bonds4

About cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 135345107) has the molecular formula C21H16N8O and a molecular weight of 396.41 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID135345107
Molecular FormulaC21H16N8O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Namecis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnccc3-c3cn[nH]c3)nc(N)c2cn1
InChIInChI=1S/C21H16N8O/c22-6-12-3-15(12)21(30)29-19-5-11-4-18(28-20(23)16(11)10-25-19)17-9-24-2-1-14(17)13-7-26-27-8-13/h1-2,4-5,7-10,12,15H,3H2,(H2,23,28)(H,26,27)(H,25,29,30)/t12-,15+/m1/s1
InChIKeyFEYINKHCVYSUIF-DOMZBBRYSA-N
XLogP2.76
TPSA146.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-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 cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 135345107) is cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnccc3-c3cn[nH]c3)nc(N)c2cn1.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is FEYINKHCVYSUIF-DOMZBBRYSA-N. The full InChI is InChI=1S/C21H16N8O/c22-6-12-3-15(12)21(30)29-19-5-11-4-18(28-20(23)16(11)10-25-19)17-9-24-2-1-14(17)13-7-26-27-8-13/h1-2,4-5,7-10,12,15H,3H2,(H2,23,28)(H,26,27)(H,25,29,30)/t12-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 135345107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).