1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide

C19H17FN8O — CID 75202555

IUPAC1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN8O/c20-13-1-3-15(4-2-13)28-9-6-16(25-28)19(29)23-14-5-8-26(11-14)17-18-24-22-12-27(18)10-7-21-17/h1-4,6-7,9-10,12,14H,5,8,11H2,(H,23,29)/t14-/m0/s1
InChIKeyWWNLGXUCSGJBRL-AWEZNQCLSA-N
MW392.40 g/mol
LogP1.46
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 75202555) has the molecular formula C19H17FN8O and a molecular weight of 392.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID75202555
Molecular FormulaC19H17FN8O
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN8O/c20-13-1-3-15(4-2-13)28-9-6-16(25-28)19(29)23-14-5-8-26(11-14)17-18-24-22-12-27(18)10-7-21-17/h1-4,6-7,9-10,12,14H,5,8,11H2,(H,23,29)/t14-/m0/s1
InChIKeyWWNLGXUCSGJBRL-AWEZNQCLSA-N
XLogP1.46
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 75202555) is 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is WWNLGXUCSGJBRL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17FN8O/c20-13-1-3-15(4-2-13)28-9-6-16(25-28)19(29)23-14-5-8-26(11-14)17-18-24-22-12-27(18)10-7-21-17/h1-4,6-7,9-10,12,14H,5,8,11H2,(H,23,29)/t14-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 75202555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).