2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide

C24H26N10O — CID 67128132

IUPAC2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)n(C)n1
InChIInChI=1S/C24H26N10O/c1-16-11-20(33(2)32-16)24(35)29-18-13-19(30-21(14-18)31-22-15-26-5-6-27-22)17-3-4-28-23(12-17)34-9-7-25-8-10-34/h3-6,11-15,25H,7-10H2,1-2H3,(H2,27,29,30,31,35)
InChIKeyJZHGAOKECHRKKX-UHFFFAOYSA-N
MW470.54 g/mol
LogP2.38
Rot. Bonds6

About 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide (PubChem CID 67128132) has the molecular formula C24H26N10O and a molecular weight of 470.54 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide
PubChem CID67128132
Molecular FormulaC24H26N10O
Molecular Weight470.54 g/mol
Exact Mass470.23
IUPAC Name2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)n(C)n1
InChIInChI=1S/C24H26N10O/c1-16-11-20(33(2)32-16)24(35)29-18-13-19(30-21(14-18)31-22-15-26-5-6-27-22)17-3-4-28-23(12-17)34-9-7-25-8-10-34/h3-6,11-15,25H,7-10H2,1-2H3,(H2,27,29,30,31,35)
InChIKeyJZHGAOKECHRKKX-UHFFFAOYSA-N
XLogP2.38
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 66836474
4-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 66836904
4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol
CID 66836509
4-[4-[4-[(4-methoxycarbonylbenzoyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836671
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 67127973
tert-butyl 4-[4-[4-[(4-methoxycarbonylbenzoyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 66836332
tert-butyl 4-[4-[4-[(1-acetylpiperidine-4-carbonyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 67128236
4-[[2-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]benzoic acid
CID 66836565
1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine
CID 56947892
4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836546
tert-butyl 4-[4-[4-[[(2R)-2-(cyclohexylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 67128105
2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
CID 67083741

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide (CID 67128132) is 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is JZHGAOKECHRKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N10O/c1-16-11-20(33(2)32-16)24(35)29-18-13-19(30-21(14-18)31-22-15-26-5-6-27-22)17-3-4-28-23(12-17)34-9-7-25-8-10-34/h3-6,11-15,25H,7-10H2,1-2H3,(H2,27,29,30,31,35).
What are the key properties of 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 67128132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).