3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide

C23H21ClFN5O2 — CID 166595657

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C23H21ClFN5O2/c1-13-5-6-17(14-8-10-30-19(12-14)28-23(26)29-30)21(25)20(13)22(32)27-9-7-18(31)15-3-2-4-16(24)11-15/h2-6,8,10-12,18,31H,7,9H2,1H3,(H2,26,29)(H,27,32)/t18-/m1/s1
InChIKeyKCPIWHYTGKDOQZ-GOSISDBHSA-N
MW453.91 g/mol
LogP3.93
Rot. Bonds6

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide (PubChem CID 166595657) has the molecular formula C23H21ClFN5O2 and a molecular weight of 453.91 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
PubChem CID166595657
Molecular FormulaC23H21ClFN5O2
Molecular Weight453.91 g/mol
Exact Mass453.14
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C23H21ClFN5O2/c1-13-5-6-17(14-8-10-30-19(12-14)28-23(26)29-30)21(25)20(13)22(32)27-9-7-18(31)15-3-2-4-16(24)11-15/h2-6,8,10-12,18,31H,7,9H2,1H3,(H2,26,29)(H,27,32)/t18-/m1/s1
InChIKeyKCPIWHYTGKDOQZ-GOSISDBHSA-N
XLogP3.93
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.91
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595740
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595695
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 164740522
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-(2-fluorophenyl)-3-hydroxypropyl]-6-methylbenzamide
CID 164740556
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 164740525
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]benzamide
CID 166596348
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-2-fluoropropyl]-2-fluoro-6-methylbenzamide
CID 163265642
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 164740500
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutyl]-2-fluoro-6-methylbenzamide
CID 166595547
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide
CID 150485823
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2-prop-1-en-2-ylpentyl]-6-methylbenzamide
CID 176959799
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(3R)-2,2-difluoro-3-hydroxy-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2-fluorobenzamide
CID 166596135

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide (CID 166595657) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@H](O)c1cccc(Cl)c1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The InChIKey is KCPIWHYTGKDOQZ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21ClFN5O2/c1-13-5-6-17(14-8-10-30-19(12-14)28-23(26)29-30)21(25)20(13)22(32)27-9-7-18(31)15-3-2-4-16(24)11-15/h2-6,8,10-12,18,31H,7,9H2,1H3,(H2,26,29)(H,27,32)/t18-/m1/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide has a molecular weight of 453.91 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 166595657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).