N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide

C19H18FN5O2 — CID 122504637

IUPACN-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H]1NC(=O)c1ccc2[nH]ncc2c1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN5O2/c20-14-4-1-11(2-5-14)18(26)23-16-9-21-10-17(16)24-19(27)12-3-6-15-13(7-12)8-22-25-15/h1-8,16-17,21H,9-10H2,(H,22,25)(H,23,26)(H,24,27)/t16-,17-/m1/s1
InChIKeyATZJTKCPZFHKHV-IAGOWNOFSA-N
MW367.38 g/mol
LogP1.20
Rot. Bonds4

About N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide

N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide (PubChem CID 122504637) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide
PubChem CID122504637
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC NameN-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H]1NC(=O)c1ccc2[nH]ncc2c1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN5O2/c20-14-4-1-11(2-5-14)18(26)23-16-9-21-10-17(16)24-19(27)12-3-6-15-13(7-12)8-22-25-15/h1-8,16-17,21H,9-10H2,(H,22,25)(H,23,26)(H,24,27)/t16-,17-/m1/s1
InChIKeyATZJTKCPZFHKHV-IAGOWNOFSA-N
XLogP1.20
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide (CID 122504637) is N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide is O=C(N[C@@H]1CNC[C@H]1NC(=O)c1ccc2[nH]ncc2c1)c1ccc(F)cc1.
What is the InChIKey of N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is ATZJTKCPZFHKHV-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-4-1-11(2-5-14)18(26)23-16-9-21-10-17(16)24-19(27)12-3-6-15-13(7-12)8-22-25-15/h1-8,16-17,21H,9-10H2,(H,22,25)(H,23,26)(H,24,27)/t16-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide?
N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-[(4-fluorobenzoyl)amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 122504637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).