4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile

C27H27F2N5O2 — CID 158034909

IUPAC4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
SMILESCOc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cn(C5CCN(C)CC5)nc4C#N)cc32)c1F
InChIInChI=1S/C27H27F2N5O2/c1-33-8-6-18(7-9-33)34-15-21(23(13-30)32-34)17-11-19-16(4-5-22(19)31-14-17)10-20-26(28)24(35-2)12-25(36-3)27(20)29/h4,11-12,14-15,18H,5-10H2,1-3H3
InChIKeySRXCLYYLTVNVQY-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.56
Rot. Bonds6

About 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile

4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile (PubChem CID 158034909) has the molecular formula C27H27F2N5O2 and a molecular weight of 491.54 g/mol. Its IUPAC name is 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
PubChem CID158034909
Molecular FormulaC27H27F2N5O2
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC Name4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
SMILESCOc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cn(C5CCN(C)CC5)nc4C#N)cc32)c1F
InChIInChI=1S/C27H27F2N5O2/c1-33-8-6-18(7-9-33)34-15-21(23(13-30)32-34)17-11-19-16(4-5-22(19)31-14-17)10-20-26(28)24(35-2)12-25(36-3)27(20)29/h4,11-12,14-15,18H,5-10H2,1-3H3
InChIKeySRXCLYYLTVNVQY-UHFFFAOYSA-N
XLogP4.56
TPSA76.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine
CID 160660160
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridine
CID 158691041
3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161452429
5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
CID 122605480
3-(7-methoxy-1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 42600095
3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 146304387
5-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)-3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 146304438
(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;(2,6-difluoro-3,5-dimethoxyphenyl)-[3-(1-methylsulfonylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]methanol;methanesulfonyl chloride;1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 162202898
3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 42599605
N-[3-[4-[2-(tert-butylamino)-4-pyridinyl]-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-fluorophenyl]-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
CID 66729660
5-[3-chloro-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 175663929
2-[[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[6-(1-ethylpiperidin-4-yl)pyrazin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 159587541

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile?
The IUPAC name of 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile (CID 158034909) is 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile.
What is the SMILES notation for 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile?
The canonical SMILES for 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile is COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cn(C5CCN(C)CC5)nc4C#N)cc32)c1F.
What is the InChIKey of 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile?
The InChIKey is SRXCLYYLTVNVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O2/c1-33-8-6-18(7-9-33)34-15-21(23(13-30)32-34)17-11-19-16(4-5-22(19)31-14-17)10-20-26(28)24(35-2)12-25(36-3)27(20)29/h4,11-12,14-15,18H,5-10H2,1-3H3.
What are the key properties of 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile?
4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile has a molecular weight of 491.54 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile is sourced from PubChem (CID 158034909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).