[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C19H27N5O — CID 95723617

IUPAC[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(N2CCC[C@H](C(=O)N3CCCC3)C2)n2nccc2n1
InChIInChI=1S/C19H27N5O/c1-14(2)16-12-18(24-17(21-16)7-8-20-24)23-11-5-6-15(13-23)19(25)22-9-3-4-10-22/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3/t15-/m0/s1
InChIKeyNZVLGBDGKWXJNV-HNNXBMFYSA-N
MW341.46 g/mol
LogP2.69
Rot. Bonds3

About [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95723617) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID95723617
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(N2CCC[C@H](C(=O)N3CCCC3)C2)n2nccc2n1
InChIInChI=1S/C19H27N5O/c1-14(2)16-12-18(24-17(21-16)7-8-20-24)23-11-5-6-15(13-23)19(25)22-9-3-4-10-22/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3/t15-/m0/s1
InChIKeyNZVLGBDGKWXJNV-HNNXBMFYSA-N
XLogP2.69
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone
CID 56885348
(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 95863277
piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797898
cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 95729043
(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134798658
4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine
CID 56899471
5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 56902534
(4-cyclohexylpiperidin-1-yl)-[1-(2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-yl)piperidin-3-yl]methanone
CID 70880999
(1S,2S,9R)-11-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 56914864
[1-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 136994907
7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 163343464
[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374152

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 95723617) is [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is CC(C)c1cc(N2CCC[C@H](C(=O)N3CCCC3)C2)n2nccc2n1.
What is the InChIKey of [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NZVLGBDGKWXJNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)16-12-18(24-17(21-16)7-8-20-24)23-11-5-6-15(13-23)19(25)22-9-3-4-10-22/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95723617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).