(5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone

C21H27N7O — CID 123266334

IUPAC(5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCC2c2cc3nc(N4CCCC4)c(C)cn3n2)n[nH]1
InChIInChI=1S/C21H27N7O/c1-14-13-28-19(22-20(14)26-8-5-6-9-26)12-16(25-28)18-7-3-4-10-27(18)21(29)17-11-15(2)23-24-17/h11-13,18H,3-10H2,1-2H3,(H,23,24)
InChIKeyFTKJIEDRGQLLCV-UHFFFAOYSA-N
MW393.50 g/mol
LogP3.04
Rot. Bonds3

About (5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone

(5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 123266334) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
PubChem CID123266334
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCC2c2cc3nc(N4CCCC4)c(C)cn3n2)n[nH]1
InChIInChI=1S/C21H27N7O/c1-14-13-28-19(22-20(14)26-8-5-6-9-26)12-16(25-28)18-7-3-4-10-27(18)21(29)17-11-15(2)23-24-17/h11-13,18H,3-10H2,1-2H3,(H,23,24)
InChIKeyFTKJIEDRGQLLCV-UHFFFAOYSA-N
XLogP3.04
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethyl-5-methylpyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123277488
(4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123918214
imidazo[1,2-a]pyridin-2-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123872101
5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 123888393
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 118667108
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 58029383
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 58029672
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 58029381
1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123145286
N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 58029553
[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
CID 76668490
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 118667113

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone (CID 123266334) is (5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCCC2c2cc3nc(N4CCCC4)c(C)cn3n2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is FTKJIEDRGQLLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-14-13-28-19(22-20(14)26-8-5-6-9-26)12-16(25-28)18-7-3-4-10-27(18)21(29)17-11-15(2)23-24-17/h11-13,18H,3-10H2,1-2H3,(H,23,24).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
(5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 393.50 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 123266334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).