2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone

C23H27N5O — CID 58029593

IUPAC2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone
SMILESCc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)C(N)c3ccccc3)nn12
InChIInChI=1S/C23H27N5O/c1-15-13-18(16-10-11-16)25-21-14-19(26-28(15)21)20-9-5-6-12-27(20)23(29)22(24)17-7-3-2-4-8-17/h2-4,7-8,13-14,16,20,22H,5-6,9-12,24H2,1H3/t20-,22?/m0/s1
InChIKeyANIUYDVFQDPSDE-AIBWNMTMSA-N
MW389.50 g/mol
LogP3.67
Rot. Bonds4

About 2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone

2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone (PubChem CID 58029593) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone
PubChem CID58029593
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone
SMILESCc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)C(N)c3ccccc3)nn12
InChIInChI=1S/C23H27N5O/c1-15-13-18(16-10-11-16)25-21-14-19(26-28(15)21)20-9-5-6-12-27(20)23(29)22(24)17-7-3-2-4-8-17/h2-4,7-8,13-14,16,20,22H,5-6,9-12,24H2,1H3/t20-,22?/m0/s1
InChIKeyANIUYDVFQDPSDE-AIBWNMTMSA-N
XLogP3.67
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide
CID 58029853
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
tert-butyl N-[3-(1-bromoethenyl)-1-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxopent-3-en-2-yl]carbamate
CID 123359404
2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82078907
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
N-[4-chloro-2-[2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-6-fluorophenyl]methanesulfonamide
CID 123498807
tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
CID 76667892
(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 106312491
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
CID 61164920
(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 62889117
[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 119435832
N-[(1R)-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 118885553

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone (CID 58029593) is 2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone is Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)C(N)c3ccccc3)nn12.
What is the InChIKey of 2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is ANIUYDVFQDPSDE-AIBWNMTMSA-N. The full InChI is InChI=1S/C23H27N5O/c1-15-13-18(16-10-11-16)25-21-14-19(26-28(15)21)20-9-5-6-12-27(20)23(29)22(24)17-7-3-2-4-8-17/h2-4,7-8,13-14,16,20,22H,5-6,9-12,24H2,1H3/t20-,22?/m0/s1.
What are the key properties of 2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone?
2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 389.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 58029593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).