4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C22H25ClN4O2 — CID 7626984

IUPAC4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(-n2nc(C)c3c(Cl)c(C(=O)NC4CCCCCC4)cnc32)cc1
InChIInChI=1S/C22H25ClN4O2/c1-14-19-20(23)18(22(28)25-15-7-5-3-4-6-8-15)13-24-21(19)27(26-14)16-9-11-17(29-2)12-10-16/h9-13,15H,3-8H2,1-2H3,(H,25,28)
InChIKeySGUDHOORSSAOEV-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.84
Rot. Bonds4

About 4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7626984) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7626984
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(-n2nc(C)c3c(Cl)c(C(=O)NC4CCCCCC4)cnc32)cc1
InChIInChI=1S/C22H25ClN4O2/c1-14-19-20(23)18(22(28)25-15-7-5-3-4-6-8-15)13-24-21(19)27(26-14)16-9-11-17(29-2)12-10-16/h9-13,15H,3-8H2,1-2H3,(H,25,28)
InChIKeySGUDHOORSSAOEV-UHFFFAOYSA-N
XLogP4.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 7626947
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(3-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626977
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626969
N-butyl-4-chloro-1-(4-methoxyphenyl)-N,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626907
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928153
4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423439
2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium
CID 7627054
4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 122442807
4-chloro-3-methyl-N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627315
4-chloro-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626788
[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 7626813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 7626984) is 4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(-n2nc(C)c3c(Cl)c(C(=O)NC4CCCCCC4)cnc32)cc1.
What is the InChIKey of 4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is SGUDHOORSSAOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-14-19-20(23)18(22(28)25-15-7-5-3-4-6-8-15)13-24-21(19)27(26-14)16-9-11-17(29-2)12-10-16/h9-13,15H,3-8H2,1-2H3,(H,25,28).
What are the key properties of 4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7626984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).