N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide

C21H21Cl2N5O2 — CID 76668186

IUPACN-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCCC1c1cc2nc(Cl)c(C)cn2n1
InChIInChI=1S/C21H21Cl2N5O2/c1-12-11-28-19(25-20(12)23)10-17(26-28)18-5-3-4-8-27(18)21(30)15-9-14(22)6-7-16(15)24-13(2)29/h6-7,9-11,18H,3-5,8H2,1-2H3,(H,24,29)
InChIKeyMNAPBTNOHLTCDQ-UHFFFAOYSA-N
MW446.34 g/mol
LogP4.67
Rot. Bonds3

About N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide

N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 76668186) has the molecular formula C21H21Cl2N5O2 and a molecular weight of 446.34 g/mol. Its IUPAC name is N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID76668186
Molecular FormulaC21H21Cl2N5O2
Molecular Weight446.34 g/mol
Exact Mass445.11
IUPAC NameN-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCCC1c1cc2nc(Cl)c(C)cn2n1
InChIInChI=1S/C21H21Cl2N5O2/c1-12-11-28-19(25-20(12)23)10-17(26-28)18-5-3-4-8-27(18)21(30)15-9-14(22)6-7-16(15)24-13(2)29/h6-7,9-11,18H,3-5,8H2,1-2H3,(H,24,29)
InChIKeyMNAPBTNOHLTCDQ-UHFFFAOYSA-N
XLogP4.67
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 76668101
N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylideneamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 130205115
N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 58029553
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
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
propan-2-yl N-[2-[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]carbamate
CID 76668199
N-[4-chloro-2-[2-[6-methyl-5-[3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfinamide
CID 156649681
N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58029555
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-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-(3-hydroxypiperidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;methane;piperidin-3-ol
CID 159168127

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide (CID 76668186) is N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCCC1c1cc2nc(Cl)c(C)cn2n1.
What is the InChIKey of N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is MNAPBTNOHLTCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2/c1-12-11-28-19(25-20(12)23)10-17(26-28)18-5-3-4-8-27(18)21(30)15-9-14(22)6-7-16(15)24-13(2)29/h6-7,9-11,18H,3-5,8H2,1-2H3,(H,24,29).
What are the key properties of N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 446.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 76668186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).