1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C21H25N9O — CID 90545075

IUPAC1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)C1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C21H25N9O/c31-21(27-17-12-18(23-14-22-17)28-7-1-2-8-28)16-4-10-29(11-5-16)19-13-20(25-15-24-19)30-9-3-6-26-30/h3,6,9,12-16H,1-2,4-5,7-8,10-11H2,(H,22,23,27,31)
InChIKeyILUVDDCPHRVZFQ-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.91
Rot. Bonds5

About 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 90545075) has the molecular formula C21H25N9O and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID90545075
Molecular FormulaC21H25N9O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC Name1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)C1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C21H25N9O/c31-21(27-17-12-18(23-14-22-17)28-7-1-2-8-28)16-4-10-29(11-5-16)19-13-20(25-15-24-19)30-9-3-6-26-30/h3,6,9,12-16H,1-2,4-5,7-8,10-11H2,(H,22,23,27,31)
InChIKeyILUVDDCPHRVZFQ-UHFFFAOYSA-N
XLogP1.91
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2,6-bis(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768406
8-[2-[(1-Methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351829
1-(6-Pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxamide
CID 40175448
1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(4H-1,2,4-triazol-4-yl)piperidine-3-carboxamide
CID 56764956
1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 71795756
N-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71805347
N-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperidine-4-carboxamide
CID 71805453
1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
CID 72719811
N-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-(S)-1-[6-(1-imidazolyl)-4-pyrimidinyl]-3-piperidinecarboxamide
CID 97354805
Piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
CID 134796532
(4-Methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
CID 134797813
N-(2-methylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134798422

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 90545075) is 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is O=C(Nc1cc(N2CCCC2)ncn1)C1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is ILUVDDCPHRVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O/c31-21(27-17-12-18(23-14-22-17)28-7-1-2-8-28)16-4-10-29(11-5-16)19-13-20(25-15-24-19)30-9-3-6-26-30/h3,6,9,12-16H,1-2,4-5,7-8,10-11H2,(H,22,23,27,31).
What are the key properties of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90545075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).