(2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

C32H30FN7O3 — CID 71598663

IUPAC(2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCOc1cc(C(=O)N2CCCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](N)c4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C32H30FN7O3/c1-43-27-18-22(31(42)39-16-2-3-17-39)8-14-26(27)36-32-37-28-15-9-23(19-40(28)38-32)20-6-12-25(13-7-20)35-30(41)29(34)21-4-10-24(33)11-5-21/h4-15,18-19,29H,2-3,16-17,34H2,1H3,(H,35,41)(H,36,38)/t29-/m1/s1
InChIKeyNMFISVGDLHKOMF-GDLZYMKVSA-N
MW579.64 g/mol
LogP5.16
Rot. Bonds8

About (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

(2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 71598663) has the molecular formula C32H30FN7O3 and a molecular weight of 579.64 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID71598663
Molecular FormulaC32H30FN7O3
Molecular Weight579.64 g/mol
Exact Mass579.24
IUPAC Name(2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCOc1cc(C(=O)N2CCCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](N)c4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C32H30FN7O3/c1-43-27-18-22(31(42)39-16-2-3-17-39)8-14-26(27)36-32-37-28-15-9-23(19-40(28)38-32)20-6-12-25(13-7-20)35-30(41)29(34)21-4-10-24(33)11-5-21/h4-15,18-19,29H,2-3,16-17,34H2,1H3,(H,35,41)(H,36,38)/t29-/m1/s1
InChIKeyNMFISVGDLHKOMF-GDLZYMKVSA-N
XLogP5.16
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.64
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 71598663) is (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is COc1cc(C(=O)N2CCCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](N)c4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is NMFISVGDLHKOMF-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H30FN7O3/c1-43-27-18-22(31(42)39-16-2-3-17-39)8-14-26(27)36-32-37-28-15-9-23(19-40(28)38-32)20-6-12-25(13-7-20)35-30(41)29(34)21-4-10-24(33)11-5-21/h4-15,18-19,29H,2-3,16-17,34H2,1H3,(H,35,41)(H,36,38)/t29-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
(2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 579.64 g/mol, XLogP of 5.16, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 71598663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).