cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone

C18H25N5O — CID 95729043

IUPACcyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
SMILESCC(C)c1cc(N[C@H]2CCCN(C(=O)C3CC3)C2)n2nccc2n1
InChIInChI=1S/C18H25N5O/c1-12(2)15-10-17(23-16(21-15)7-8-19-23)20-14-4-3-9-22(11-14)18(24)13-5-6-13/h7-8,10,12-14,20H,3-6,9,11H2,1-2H3/t14-/m0/s1
InChIKeyUWVMCHJKYGJPPM-AWEZNQCLSA-N
MW327.43 g/mol
LogP2.67
Rot. Bonds4

About cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone

cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone (PubChem CID 95729043) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
PubChem CID95729043
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Namecyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
SMILESCC(C)c1cc(N[C@H]2CCCN(C(=O)C3CC3)C2)n2nccc2n1
InChIInChI=1S/C18H25N5O/c1-12(2)15-10-17(23-16(21-15)7-8-19-23)20-14-4-3-9-22(11-14)18(24)13-5-6-13/h7-8,10,12-14,20H,3-6,9,11H2,1-2H3/t14-/m0/s1
InChIKeyUWVMCHJKYGJPPM-AWEZNQCLSA-N
XLogP2.67
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95723617
cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone
CID 56885348
N-cyclohexyl-5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170418529
cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 56896555
(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 95863277
3-N-[5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-1,3-diamine
CID 170418852
cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone
CID 130369595
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 95718612
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
CID 119034514
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 42119873

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone (CID 95729043) is cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone is CC(C)c1cc(N[C@H]2CCCN(C(=O)C3CC3)C2)n2nccc2n1.
What is the InChIKey of cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone?
The InChIKey is UWVMCHJKYGJPPM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12(2)15-10-17(23-16(21-15)7-8-19-23)20-14-4-3-9-22(11-14)18(24)13-5-6-13/h7-8,10,12-14,20H,3-6,9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone?
cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 95729043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).