1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide

C24H32N8O — CID 176895425

IUPAC1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide
SMILESCc1cc(-c2cnc(N)c(-n3cc(C(N)=O)cn3)n2)cc(C)c1N(C)CCCN1CCCC1
InChIInChI=1S/C24H32N8O/c1-16-11-18(12-17(2)21(16)30(3)7-6-10-31-8-4-5-9-31)20-14-27-22(25)24(29-20)32-15-19(13-28-32)23(26)33/h11-15H,4-10H2,1-3H3,(H2,25,27)(H2,26,33)
InChIKeyIRAXDISRFNTZJO-UHFFFAOYSA-N
MW448.58 g/mol
LogP2.55
Rot. Bonds8

About 1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide

1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide (PubChem CID 176895425) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is 1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide
PubChem CID176895425
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC Name1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide
SMILESCc1cc(-c2cnc(N)c(-n3cc(C(N)=O)cn3)n2)cc(C)c1N(C)CCCN1CCCC1
InChIInChI=1S/C24H32N8O/c1-16-11-18(12-17(2)21(16)30(3)7-6-10-31-8-4-5-9-31)20-14-27-22(25)24(29-20)32-15-19(13-28-32)23(26)33/h11-15H,4-10H2,1-3H3,(H2,25,27)(H2,26,33)
InChIKeyIRAXDISRFNTZJO-UHFFFAOYSA-N
XLogP2.55
TPSA119.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
CU-CPT-8m
CID 15042086
5-amino-N-[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063100
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 58081260
1-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]pyrazole-4-Carboxamide
CID 126480572
6-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]-3H-quinazolin-4-one
CID 136254194
1-tert-butyl-N-[[2-methyl-4-[5-[3-[methyl(prop-2-enoyl)amino]pyrrolidin-1-yl]pyrimidin-4-yl]phenyl]methyl]triazole-4-carboxamide
CID 162724973
5-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063146
3-Methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
CID 66561650
N-[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851426
6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-3H-quinazolin-4-one
CID 136254195
3-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 53391877

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide (CID 176895425) is 1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide is Cc1cc(-c2cnc(N)c(-n3cc(C(N)=O)cn3)n2)cc(C)c1N(C)CCCN1CCCC1.
What is the InChIKey of 1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide?
The InChIKey is IRAXDISRFNTZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O/c1-16-11-18(12-17(2)21(16)30(3)7-6-10-31-8-4-5-9-31)20-14-27-22(25)24(29-20)32-15-19(13-28-32)23(26)33/h11-15H,4-10H2,1-3H3,(H2,25,27)(H2,26,33).
What are the key properties of 1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide?
1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide has a molecular weight of 448.58 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-[3,5-dimethyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]phenyl]pyrazin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 176895425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).