3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C25H27N7O2 — CID 154657834

IUPAC3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCOC[C@H]1CCC[C@H]1NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccn(C)n2)nc1N
InChIInChI=1S/C25H27N7O2/c1-32-12-10-20(31-32)22-21(16-8-9-18-15(13-16)6-4-11-27-18)29-23(24(26)30-22)25(33)28-19-7-3-5-17(19)14-34-2/h4,6,8-13,17,19H,3,5,7,14H2,1-2H3,(H2,26,30)(H,28,33)/t17-,19-/m1/s1
InChIKeyJOXQIMJVBMILTQ-IEBWSBKVSA-N
MW457.54 g/mol
LogP3.22
Rot. Bonds6

About 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154657834) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154657834
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCOC[C@H]1CCC[C@H]1NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccn(C)n2)nc1N
InChIInChI=1S/C25H27N7O2/c1-32-12-10-20(31-32)22-21(16-8-9-18-15(13-16)6-4-11-27-18)29-23(24(26)30-22)25(33)28-19-7-3-5-17(19)14-34-2/h4,6,8-13,17,19H,3,5,7,14H2,1-2H3,(H2,26,30)(H,28,33)/t17-,19-/m1/s1
InChIKeyJOXQIMJVBMILTQ-IEBWSBKVSA-N
XLogP3.22
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604475
3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604735
3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658312
3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604553
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430748
3-amino-N-(isoquinolin-3-ylmethyl)-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657882
3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604574
3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658102
3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658010
3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657859
3-amino-N-[1-(3-cyanophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657884
3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604685

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154657834) is 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is COC[C@H]1CCC[C@H]1NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccn(C)n2)nc1N.
What is the InChIKey of 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is JOXQIMJVBMILTQ-IEBWSBKVSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-32-12-10-20(31-32)22-21(16-8-9-18-15(13-16)6-4-11-27-18)29-23(24(26)30-22)25(33)28-19-7-3-5-17(19)14-34-2/h4,6,8-13,17,19H,3,5,7,14H2,1-2H3,(H2,26,30)(H,28,33)/t17-,19-/m1/s1.
What are the key properties of 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154657834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).