3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C27H20N8O — CID 154658312

IUPAC3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)Nc3nccc4ccccc34)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C27H20N8O/c1-35-14-11-21(34-35)23-22(18-8-9-20-17(15-18)6-4-12-29-20)31-24(25(28)32-23)27(36)33-26-19-7-3-2-5-16(19)10-13-30-26/h2-15H,1H3,(H2,28,32)(H,30,33,36)
InChIKeyDBQGNPGCMLQDRD-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.47
Rot. Bonds4

About 3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154658312) has the molecular formula C27H20N8O and a molecular weight of 472.51 g/mol. Its IUPAC name is 3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154658312
Molecular FormulaC27H20N8O
Molecular Weight472.51 g/mol
Exact Mass472.18
IUPAC Name3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)Nc3nccc4ccccc34)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C27H20N8O/c1-35-14-11-21(34-35)23-22(18-8-9-20-17(15-18)6-4-12-29-20)31-24(25(28)32-23)27(36)33-26-19-7-3-2-5-16(19)10-13-30-26/h2-15H,1H3,(H2,28,32)(H,30,33,36)
InChIKeyDBQGNPGCMLQDRD-UHFFFAOYSA-N
XLogP4.47
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604735
3-amino-N-(isoquinolin-3-ylmethyl)-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657882
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-[(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-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604553
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-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657859
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-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658269

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154658312) is 3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)Nc3nccc4ccccc34)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is DBQGNPGCMLQDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N8O/c1-35-14-11-21(34-35)23-22(18-8-9-20-17(15-18)6-4-12-29-20)31-24(25(28)32-23)27(36)33-26-19-7-3-2-5-16(19)10-13-30-26/h2-15H,1H3,(H2,28,32)(H,30,33,36).
What are the key properties of 3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154658312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).