N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide

C25H20FN5O2 — CID 165385301

IUPACN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide
SMILESCN(Cc1cnc(C#N)c2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1
InChIInChI=1S/C25H20FN5O2/c1-31(14-17-12-28-21(11-27)19-13-29-30-24(17)19)25(32)16-9-20(26)23(15-5-3-2-4-6-15)22(10-16)33-18-7-8-18/h2-6,9-10,12-13,18H,7-8,14H2,1H3,(H,29,30)
InChIKeyPCBJFVWQXJJWJP-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.45
Rot. Bonds6

About N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide

N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide (PubChem CID 165385301) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide
PubChem CID165385301
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide
SMILESCN(Cc1cnc(C#N)c2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1
InChIInChI=1S/C25H20FN5O2/c1-31(14-17-12-28-21(11-27)19-13-29-30-24(17)19)25(32)16-9-20(26)23(15-5-3-2-4-6-15)22(10-16)33-18-7-8-18/h2-6,9-10,12-13,18H,7-8,14H2,1H3,(H,29,30)
InChIKeyPCBJFVWQXJJWJP-UHFFFAOYSA-N
XLogP4.45
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide?
The IUPAC name of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide (CID 165385301) is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide.
What is the SMILES notation for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide?
The canonical SMILES for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide is CN(Cc1cnc(C#N)c2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1.
What is the InChIKey of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide?
The InChIKey is PCBJFVWQXJJWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-31(14-17-12-28-21(11-27)19-13-29-30-24(17)19)25(32)16-9-20(26)23(15-5-3-2-4-6-15)22(10-16)33-18-7-8-18/h2-6,9-10,12-13,18H,7-8,14H2,1H3,(H,29,30).
What are the key properties of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide?
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide has a molecular weight of 441.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide is sourced from PubChem (CID 165385301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).