5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide

C24H22F2N6O2 — CID 151941354

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1c(OCC2CC2)ccc(F)c1F
InChIInChI=1S/C24H22F2N6O2/c1-13-17(8-16(10-28-13)15-6-7-32-21(9-15)30-24(27)31-32)23(33)29-11-18-20(34-12-14-2-3-14)5-4-19(25)22(18)26/h4-10,14H,2-3,11-12H2,1H3,(H2,27,31)(H,29,33)
InChIKeyTUSWDVJENCFZJQ-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.68
Rot. Bonds7

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide (PubChem CID 151941354) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide
PubChem CID151941354
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1c(OCC2CC2)ccc(F)c1F
InChIInChI=1S/C24H22F2N6O2/c1-13-17(8-16(10-28-13)15-6-7-32-21(9-15)30-24(27)31-32)23(33)29-11-18-20(34-12-14-2-3-14)5-4-19(25)22(18)26/h4-10,14H,2-3,11-12H2,1H3,(H2,27,31)(H,29,33)
InChIKeyTUSWDVJENCFZJQ-UHFFFAOYSA-N
XLogP3.68
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide (CID 151941354) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide is Cc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1c(OCC2CC2)ccc(F)c1F.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is TUSWDVJENCFZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-13-17(8-16(10-28-13)15-6-7-32-21(9-15)30-24(27)31-32)23(33)29-11-18-20(34-12-14-2-3-14)5-4-19(25)22(18)26/h4-10,14H,2-3,11-12H2,1H3,(H2,27,31)(H,29,33).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 151941354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).