4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide

C25H26N6O2 — CID 89157461

IUPAC4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide
SMILESCCOc1cc(N)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCC4CC4)cc3)cn2n1
InChIInChI=1S/C25H26N6O2/c1-2-33-22-13-20(26)10-11-21(22)28-25-29-23-12-9-19(15-31(23)30-25)17-5-7-18(8-6-17)24(32)27-14-16-3-4-16/h5-13,15-16H,2-4,14,26H2,1H3,(H,27,32)(H,28,30)
InChIKeyZCDRZGYLBFGYFP-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.26
Rot. Bonds8

About 4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide

4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide (PubChem CID 89157461) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide
PubChem CID89157461
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide
SMILESCCOc1cc(N)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCC4CC4)cc3)cn2n1
InChIInChI=1S/C25H26N6O2/c1-2-33-22-13-20(26)10-11-21(22)28-25-29-23-12-9-19(15-31(23)30-25)17-5-7-18(8-6-17)24(32)27-14-16-3-4-16/h5-13,15-16H,2-4,14,26H2,1H3,(H,27,32)(H,28,30)
InChIKeyZCDRZGYLBFGYFP-UHFFFAOYSA-N
XLogP4.26
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 118103816
3-ethoxy-4-[[6-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)benzamide
CID 66574961
1-cyclopropyl-3-[4-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one
CID 148704184
3-ethoxy-4-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 148944006
3-ethoxy-N-ethyl-4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 66574856
1-[4-[2-[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-ethoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(4-fluorophenyl)propan-2-one
CID 158844289
3-ethoxy-4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)benzamide
CID 66574855
3-ethoxy-4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 66574744
N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
CID 54771040
4-[2-(2-cyclopropyloxy-4-ethenylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 163940643
4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 70980322
N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 118103817

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide (CID 89157461) is 4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide is CCOc1cc(N)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCC4CC4)cc3)cn2n1.
What is the InChIKey of 4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide?
The InChIKey is ZCDRZGYLBFGYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-2-33-22-13-20(26)10-11-21(22)28-25-29-23-12-9-19(15-31(23)30-25)17-5-7-18(8-6-17)24(32)27-14-16-3-4-16/h5-13,15-16H,2-4,14,26H2,1H3,(H,27,32)(H,28,30).
What are the key properties of 4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide?
4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 89157461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).