3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine

C16H15ClF2N6 — CID 170577324

IUPAC3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine
SMILESCc1nc(-n2nc(N3CCC3)c3cnc(Cl)cc32)cc(C(C)(F)F)n1
InChIInChI=1S/C16H15ClF2N6/c1-9-21-12(16(2,18)19)7-14(22-9)25-11-6-13(17)20-8-10(11)15(23-25)24-4-3-5-24/h6-8H,3-5H2,1-2H3
InChIKeyHHVVDVRXDKOIOP-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.49
Rot. Bonds3

About 3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine

3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine (PubChem CID 170577324) has the molecular formula C16H15ClF2N6 and a molecular weight of 364.79 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine
PubChem CID170577324
Molecular FormulaC16H15ClF2N6
Molecular Weight364.79 g/mol
Exact Mass364.10
IUPAC Name3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine
SMILESCc1nc(-n2nc(N3CCC3)c3cnc(Cl)cc32)cc(C(C)(F)F)n1
InChIInChI=1S/C16H15ClF2N6/c1-9-21-12(16(2,18)19)7-14(22-9)25-11-6-13(17)20-8-10(11)15(23-25)24-4-3-5-24/h6-8H,3-5H2,1-2H3
InChIKeyHHVVDVRXDKOIOP-UHFFFAOYSA-N
XLogP3.49
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)pyrazolo[4,3-c]pyridine
CID 170351822
(3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 170577846
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]formamide
CID 170577373
N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282297
6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine
CID 166546752
acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 170576975
1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine
CID 166547202
4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582470
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282300
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577004
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577622

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine (CID 170577324) is 3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine is Cc1nc(-n2nc(N3CCC3)c3cnc(Cl)cc32)cc(C(C)(F)F)n1.
What is the InChIKey of 3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine?
The InChIKey is HHVVDVRXDKOIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N6/c1-9-21-12(16(2,18)19)7-14(22-9)25-11-6-13(17)20-8-10(11)15(23-25)24-4-3-5-24/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine?
3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine has a molecular weight of 364.79 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170577324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).