[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C25H33N7O — CID 46954195

IUPAC[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccncc3)CC2)n[nH]1
InChIInChI=1S/C25H33N7O/c1-16(2)13-20-14-22(31-30-20)24(33)32-11-7-19(8-12-32)23-21(18-5-9-26-10-6-18)15-27-25(29-23)28-17(3)4/h5-6,9-10,14-17,19H,7-8,11-13H2,1-4H3,(H,30,31)(H,27,28,29)
InChIKeyPHHMWGMPBCVBME-UHFFFAOYSA-N
MW447.59 g/mol
LogP4.30
Rot. Bonds7

About [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 46954195) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID46954195
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccncc3)CC2)n[nH]1
InChIInChI=1S/C25H33N7O/c1-16(2)13-20-14-22(31-30-20)24(33)32-11-7-19(8-12-32)23-21(18-5-9-26-10-6-18)15-27-25(29-23)28-17(3)4/h5-6,9-10,14-17,19H,7-8,11-13H2,1-4H3,(H,30,31)(H,27,28,29)
InChIKeyPHHMWGMPBCVBME-UHFFFAOYSA-N
XLogP4.30
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 46962196
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 50970821
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 16669455
[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
CID 42380505
[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 92618212
1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 51593709
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 46965174
1-[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 46965171
N-[(4-fluorophenyl)methyl]-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 87046269
[3-(6-methyl-4-pyridin-4-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 121279702
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95799720
[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46954753

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 46954195) is [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is CC(C)Cc1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccncc3)CC2)n[nH]1.
What is the InChIKey of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is PHHMWGMPBCVBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O/c1-16(2)13-20-14-22(31-30-20)24(33)32-11-7-19(8-12-32)23-21(18-5-9-26-10-6-18)15-27-25(29-23)28-17(3)4/h5-6,9-10,14-17,19H,7-8,11-13H2,1-4H3,(H,30,31)(H,27,28,29).
What are the key properties of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 447.59 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46954195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).