cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone

C21H31N5O — CID 56896555

IUPACcyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc2nc(C(C)C)cc(NC3CCN(C(=O)C4CCCC4)CC3)n2n1
InChIInChI=1S/C21H31N5O/c1-14(2)18-13-20(26-19(23-18)12-15(3)24-26)22-17-8-10-25(11-9-17)21(27)16-6-4-5-7-16/h12-14,16-17,22H,4-11H2,1-3H3
InChIKeyKQHIHEIAZRATQG-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.75
Rot. Bonds4

About cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone

cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone (PubChem CID 56896555) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
PubChem CID56896555
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Namecyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc2nc(C(C)C)cc(NC3CCN(C(=O)C4CCCC4)CC3)n2n1
InChIInChI=1S/C21H31N5O/c1-14(2)18-13-20(26-19(23-18)12-15(3)24-26)22-17-8-10-25(11-9-17)21(27)16-6-4-5-7-16/h12-14,16-17,22H,4-11H2,1-3H3
InChIKeyKQHIHEIAZRATQG-UHFFFAOYSA-N
XLogP3.75
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 56885324
cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 95729043
1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 56891397
cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 47156722
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46450657
cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone
CID 56885348
[(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
CID 95866553
[1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 70751403
cyclopentyl-[4-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 72900199
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56886694
cyclopentyl-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
CID 90628304

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone (CID 56896555) is cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone is Cc1cc2nc(C(C)C)cc(NC3CCN(C(=O)C4CCCC4)CC3)n2n1.
What is the InChIKey of cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone?
The InChIKey is KQHIHEIAZRATQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-14(2)18-13-20(26-19(23-18)12-15(3)24-26)22-17-8-10-25(11-9-17)21(27)16-6-4-5-7-16/h12-14,16-17,22H,4-11H2,1-3H3.
What are the key properties of cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone?
cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone has a molecular weight of 369.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56896555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).