6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine

C22H29N7 — CID 133283125

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCC(C)N3CCN(c4ccccc4)CC3)n2)n1
InChIInChI=1S/C22H29N7/c1-17-13-18(2)29(26-17)22-16-23-15-21(25-22)24-14-19(3)27-9-11-28(12-10-27)20-7-5-4-6-8-20/h4-8,13,15-16,19H,9-12,14H2,1-3H3,(H,24,25)
InChIKeyNJLCRPPWQWREQS-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.90
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine (PubChem CID 133283125) has the molecular formula C22H29N7 and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
PubChem CID133283125
Molecular FormulaC22H29N7
Molecular Weight391.52 g/mol
Exact Mass391.25
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCC(C)N3CCN(c4ccccc4)CC3)n2)n1
InChIInChI=1S/C22H29N7/c1-17-13-18(2)29(26-17)22-16-23-15-21(25-22)24-14-19(3)27-9-11-28(12-10-27)20-7-5-4-6-8-20/h4-8,13,15-16,19H,9-12,14H2,1-3H3,(H,24,25)
InChIKeyNJLCRPPWQWREQS-UHFFFAOYSA-N
XLogP2.90
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine
CID 133446469
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrazin-2-amine
CID 133284960
1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one
CID 133284309
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine
CID 133296904
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid
CID 122047756
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
CID 133386821

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine (CID 133283125) is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCC(C)N3CCN(c4ccccc4)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine?
The InChIKey is NJLCRPPWQWREQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7/c1-17-13-18(2)29(26-17)22-16-23-15-21(25-22)24-14-19(3)27-9-11-28(12-10-27)20-7-5-4-6-8-20/h4-8,13,15-16,19H,9-12,14H2,1-3H3,(H,24,25).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine has a molecular weight of 391.52 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine is sourced from PubChem (CID 133283125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).