N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide

C22H24FN5O2 — CID 52932986

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(=O)n(C3CCNCC3)nc2c1
InChIInChI=1S/C22H24FN5O2/c1-13-18(10-15(11-19(13)23)21(29)25-16-2-3-16)14-6-9-27-20(12-14)26-28(22(27)30)17-4-7-24-8-5-17/h6,9-12,16-17,24H,2-5,7-8H2,1H3,(H,25,29)
InChIKeyADCMFXADRPBYED-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.43
Rot. Bonds4

About N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide (PubChem CID 52932986) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
PubChem CID52932986
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(=O)n(C3CCNCC3)nc2c1
InChIInChI=1S/C22H24FN5O2/c1-13-18(10-15(11-19(13)23)21(29)25-16-2-3-16)14-6-9-27-20(12-14)26-28(22(27)30)17-4-7-24-8-5-17/h6,9-12,16-17,24H,2-5,7-8H2,1H3,(H,25,29)
InChIKeyADCMFXADRPBYED-UHFFFAOYSA-N
XLogP2.43
TPSA80.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide (CID 52932986) is N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(=O)n(C3CCNCC3)nc2c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
The InChIKey is ADCMFXADRPBYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-13-18(10-15(11-19(13)23)21(29)25-16-2-3-16)14-6-9-27-20(12-14)26-28(22(27)30)17-4-7-24-8-5-17/h6,9-12,16-17,24H,2-5,7-8H2,1H3,(H,25,29).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide has a molecular weight of 409.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide is sourced from PubChem (CID 52932986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).