3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C25H26F2N8O — CID 154657859

IUPAC3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NCCCN3CCC(F)(F)C3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H26F2N8O/c1-34-12-7-19(33-34)21-20(17-5-6-18-16(14-17)4-2-9-29-18)31-22(23(28)32-21)24(36)30-10-3-11-35-13-8-25(26,27)15-35/h2,4-7,9,12,14H,3,8,10-11,13,15H2,1H3,(H2,28,32)(H,30,36)
InChIKeyULVFHUQKQSIYPD-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.14
Rot. Bonds7

About 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154657859) has the molecular formula C25H26F2N8O and a molecular weight of 492.53 g/mol. Its IUPAC name is 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154657859
Molecular FormulaC25H26F2N8O
Molecular Weight492.53 g/mol
Exact Mass492.22
IUPAC Name3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NCCCN3CCC(F)(F)C3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H26F2N8O/c1-34-12-7-19(33-34)21-20(17-5-6-18-16(14-17)4-2-9-29-18)31-22(23(28)32-21)24(36)30-10-3-11-35-13-8-25(26,27)15-35/h2,4-7,9,12,14H,3,8,10-11,13,15H2,1H3,(H2,28,32)(H,30,36)
InChIKeyULVFHUQKQSIYPD-UHFFFAOYSA-N
XLogP3.14
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-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-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-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-N-(isoquinolin-3-ylmethyl)-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657882
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-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-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604553
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-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657834
3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604685
3-amino-N-[1-(3-cyanophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657884
3-amino-5-(1-methylpyrazol-3-yl)-N-[1-(6-piperazin-1-ylpyrazin-2-yl)ethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658329

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154657859) is 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NCCCN3CCC(F)(F)C3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is ULVFHUQKQSIYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N8O/c1-34-12-7-19(33-34)21-20(17-5-6-18-16(14-17)4-2-9-29-18)31-22(23(28)32-21)24(36)30-10-3-11-35-13-8-25(26,27)15-35/h2,4-7,9,12,14H,3,8,10-11,13,15H2,1H3,(H2,28,32)(H,30,36).
What are the key properties of 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154657859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).