N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide

C22H21FN6O2 — CID 176505552

IUPACN-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide
SMILESC[C@H]1CN(C(=O)c2cc(F)cc(NC(=O)c3cccnc3)c2)Cc2nnc(C3CC3)n21
InChIInChI=1S/C22H21FN6O2/c1-13-11-28(12-19-26-27-20(29(13)19)14-4-5-14)22(31)16-7-17(23)9-18(8-16)25-21(30)15-3-2-6-24-10-15/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,25,30)/t13-/m0/s1
InChIKeyFWLRLYYAXLWEJX-ZDUSSCGKSA-N
MW420.45 g/mol
LogP3.16
Rot. Bonds4

About N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide

N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide (PubChem CID 176505552) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide
PubChem CID176505552
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC NameN-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide
SMILESC[C@H]1CN(C(=O)c2cc(F)cc(NC(=O)c3cccnc3)c2)Cc2nnc(C3CC3)n21
InChIInChI=1S/C22H21FN6O2/c1-13-11-28(12-19-26-27-20(29(13)19)14-4-5-14)22(31)16-7-17(23)9-18(8-16)25-21(30)15-3-2-6-24-10-15/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,25,30)/t13-/m0/s1
InChIKeyFWLRLYYAXLWEJX-ZDUSSCGKSA-N
XLogP3.16
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide (CID 176505552) is N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide is C[C@H]1CN(C(=O)c2cc(F)cc(NC(=O)c3cccnc3)c2)Cc2nnc(C3CC3)n21.
What is the InChIKey of N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide?
The InChIKey is FWLRLYYAXLWEJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-13-11-28(12-19-26-27-20(29(13)19)14-4-5-14)22(31)16-7-17(23)9-18(8-16)25-21(30)15-3-2-6-24-10-15/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,25,30)/t13-/m0/s1.
What are the key properties of N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide?
N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-fluorophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 176505552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).