(2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone

C19H19Cl2N5O — CID 76668101

IUPAC(2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCc1cn2nc(C3CCCCN3C(=O)c3cc(Cl)ccc3N)cc2nc1Cl
InChIInChI=1S/C19H19Cl2N5O/c1-11-10-26-17(23-18(11)21)9-15(24-26)16-4-2-3-7-25(16)19(27)13-8-12(20)5-6-14(13)22/h5-6,8-10,16H,2-4,7,22H2,1H3
InChIKeyXWHBQFNTKFGYML-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.29
Rot. Bonds2

About (2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone

(2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 76668101) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
PubChem CID76668101
Molecular FormulaC19H19Cl2N5O
Molecular Weight404.30 g/mol
Exact Mass403.10
IUPAC Name(2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCc1cn2nc(C3CCCCN3C(=O)c3cc(Cl)ccc3N)cc2nc1Cl
InChIInChI=1S/C19H19Cl2N5O/c1-11-10-26-17(23-18(11)21)9-15(24-26)16-4-2-3-7-25(16)19(27)13-8-12(20)5-6-14(13)22/h5-6,8-10,16H,2-4,7,22H2,1H3
InChIKeyXWHBQFNTKFGYML-UHFFFAOYSA-N
XLogP4.29
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 76668186
(2-amino-5-chlorophenyl)-[(2S)-2-[5-[(3R)-3-aminopiperidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 118913313
tert-butyl N-[(3S)-1-[2-[(2S)-1-(2-amino-5-chlorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]carbamate
CID 58029825
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 58029701
N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 58029553
1-[2-[1-(5-chloro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 123652605
N-[4-chloro-2-[2-[5-(3-hydroxyazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]azepane-1-carbonyl]phenyl]methanesulfonamide
CID 58029805
5-(2-amino-4,5-dihydroimidazol-1-yl)-2-[(2S)-1-[5-chloro-2-(sulfinoamino)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine
CID 118913288
N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 58029337
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
N-[4-chloro-2-[(2S)-2-[5-(3-hydroxyazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 56597828
N-[4-chloro-2-[2-[5-(4-hydroxypiperidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 76668414

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone (CID 76668101) is (2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone is Cc1cn2nc(C3CCCCN3C(=O)c3cc(Cl)ccc3N)cc2nc1Cl.
What is the InChIKey of (2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is XWHBQFNTKFGYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O/c1-11-10-26-17(23-18(11)21)9-15(24-26)16-4-2-3-7-25(16)19(27)13-8-12(20)5-6-14(13)22/h5-6,8-10,16H,2-4,7,22H2,1H3.
What are the key properties of (2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
(2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 404.30 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 76668101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).