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

C24H22N8O — CID 135344871

IUPACcis-(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
SMILESCc1cc(-c2cnn(C)c2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3CC#N)ncc2c(N)n1
InChIInChI=1S/C24H22N8O/c1-13-5-20(16-9-29-32(2)12-16)27-10-18(13)21-7-15-8-22(28-11-19(15)23(26)30-21)31-24(33)17-6-14(17)3-4-25/h5,7-12,14,17H,3,6H2,1-2H3,(H2,26,30)(H,28,31,33)/t14-,17-/m1/s1
InChIKeyRCXXVCRXQIWSGJ-RHSMWYFYSA-N
MW438.50 g/mol
LogP3.47
Rot. Bonds5

About 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

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 (PubChem CID 135344871) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecis-(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
PubChem CID135344871
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Namecis-(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
SMILESCc1cc(-c2cnn(C)c2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3CC#N)ncc2c(N)n1
InChIInChI=1S/C24H22N8O/c1-13-5-20(16-9-29-32(2)12-16)27-10-18(13)21-7-15-8-22(28-11-19(15)23(26)30-21)31-24(33)17-6-14(17)3-4-25/h5,7-12,14,17H,3,6H2,1-2H3,(H2,26,30)(H,28,31,33)/t14-,17-/m1/s1
InChIKeyRCXXVCRXQIWSGJ-RHSMWYFYSA-N
XLogP3.47
TPSA135.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cnn(C)c2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3CC#N)ncc2c(N)n1.
What is the InChIKey of 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?
The InChIKey is RCXXVCRXQIWSGJ-RHSMWYFYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-13-5-20(16-9-29-32(2)12-16)27-10-18(13)21-7-15-8-22(28-11-19(15)23(26)30-21)31-24(33)17-6-14(17)3-4-25/h5,7-12,14,17H,3,6H2,1-2H3,(H2,26,30)(H,28,31,33)/t14-,17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 438.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135344871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).