1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione

C24H29N7O2 — CID 46282453

IUPAC1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
SMILESCn1cccc1-c1cc2n(n1)CCCN2C(=O)CCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H29N7O2/c1-27-11-4-6-20(27)19-18-22-30(12-5-13-31(22)26-19)24(33)9-8-23(32)29-16-14-28(15-17-29)21-7-2-3-10-25-21/h2-4,6-7,10-11,18H,5,8-9,12-17H2,1H3
InChIKeyIMLKUOKGBIFUGH-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.15
Rot. Bonds5

About 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione

1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione (PubChem CID 46282453) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
PubChem CID46282453
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
SMILESCn1cccc1-c1cc2n(n1)CCCN2C(=O)CCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H29N7O2/c1-27-11-4-6-20(27)19-18-22-30(12-5-13-31(22)26-19)24(33)9-8-23(32)29-16-14-28(15-17-29)21-7-2-3-10-25-21/h2-4,6-7,10-11,18H,5,8-9,12-17H2,1H3
InChIKeyIMLKUOKGBIFUGH-UHFFFAOYSA-N
XLogP2.15
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione with MolForge

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Related Compounds

1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 47016242
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20929005
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
1-[3-(azepan-1-yl)propyl]-2-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111325503
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 111123056

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione?
The IUPAC name of 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione (CID 46282453) is 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione?
The canonical SMILES for 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione is Cn1cccc1-c1cc2n(n1)CCCN2C(=O)CCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione?
The InChIKey is IMLKUOKGBIFUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-27-11-4-6-20(27)19-18-22-30(12-5-13-31(22)26-19)24(33)9-8-23(32)29-16-14-28(15-17-29)21-7-2-3-10-25-21/h2-4,6-7,10-11,18H,5,8-9,12-17H2,1H3.
What are the key properties of 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione?
1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione has a molecular weight of 447.54 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione is sourced from PubChem (CID 46282453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).