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

C25H20FN5O2 — CID 165385061

IUPACN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(Cc1cnc(C#N)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
InChIInChI=1S/C25H20FN5O2/c1-31(14-17-12-28-22(11-27)21-13-29-30-24(17)21)25(32)16-5-8-20(15-3-2-4-18(26)9-15)23(10-16)33-19-6-7-19/h2-5,8-10,12-13,19H,6-7,14H2,1H3,(H,29,30)
InChIKeyKSRFOJJWLAYOAS-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-4-(3-fluorophenyl)-N-methylbenzamide

N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 165385061) 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-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID165385061
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-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(Cc1cnc(C#N)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
InChIInChI=1S/C25H20FN5O2/c1-31(14-17-12-28-22(11-27)21-13-29-30-24(17)21)25(32)16-5-8-20(15-3-2-4-18(26)9-15)23(10-16)33-19-6-7-19/h2-5,8-10,12-13,19H,6-7,14H2,1H3,(H,29,30)
InChIKeyKSRFOJJWLAYOAS-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-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide (CID 165385061) is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide is CN(Cc1cnc(C#N)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1.
What is the InChIKey of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is KSRFOJJWLAYOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-31(14-17-12-28-22(11-27)21-13-29-30-24(17)21)25(32)16-5-8-20(15-3-2-4-18(26)9-15)23(10-16)33-19-6-7-19/h2-5,8-10,12-13,19H,6-7,14H2,1H3,(H,29,30).
What are the key properties of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide?
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide 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-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 165385061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).