N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide

C23H24FN7O3 — CID 71044124

IUPACN-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide
SMILESCCN1N=C(C)CC1C(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)ccc1F
InChIInChI=1S/C23H24FN7O3/c1-3-30-19(10-13(2)28-30)22(33)25-18-11-15(6-8-17(18)24)34-16-7-9-20-26-23(29-31(20)12-16)27-21(32)14-4-5-14/h6-9,11-12,14,19H,3-5,10H2,1-2H3,(H,25,33)(H,27,29,32)
InChIKeyISCLQRPQPYOXOK-UHFFFAOYSA-N
MW465.49 g/mol
LogP3.42
Rot. Bonds7

About N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide

N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide (PubChem CID 71044124) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide
PubChem CID71044124
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC NameN-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide
SMILESCCN1N=C(C)CC1C(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)ccc1F
InChIInChI=1S/C23H24FN7O3/c1-3-30-19(10-13(2)28-30)22(33)25-18-11-15(6-8-17(18)24)34-16-7-9-20-26-23(29-31(20)12-16)27-21(32)14-4-5-14/h6-9,11-12,14,19H,3-5,10H2,1-2H3,(H,25,33)(H,27,29,32)
InChIKeyISCLQRPQPYOXOK-UHFFFAOYSA-N
XLogP3.42
TPSA113.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide (CID 71044124) is N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide is CCN1N=C(C)CC1C(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)ccc1F.
What is the InChIKey of N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is ISCLQRPQPYOXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-3-30-19(10-13(2)28-30)22(33)25-18-11-15(6-8-17(18)24)34-16-7-9-20-26-23(29-31(20)12-16)27-21(32)14-4-5-14/h6-9,11-12,14,19H,3-5,10H2,1-2H3,(H,25,33)(H,27,29,32).
What are the key properties of N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide?
N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-2-ethyl-5-methyl-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 71044124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).