N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

C28H22F2N6O2 — CID 118381335

IUPACN-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccnc(N2CCC(F)(F)C2)c1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C28H22F2N6O2/c29-28(30)9-11-36(17-28)25-14-20(8-10-32-25)33-27(37)26-23-13-18(6-7-24(23)34-35-26)19-12-22(16-31-15-19)38-21-4-2-1-3-5-21/h1-8,10,12-16H,9,11,17H2,(H,34,35)(H,32,33,37)
InChIKeyVQFOEGJVSXQUDW-UHFFFAOYSA-N
MW512.52 g/mol
LogP5.91
Rot. Bonds6

About N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 118381335) has the molecular formula C28H22F2N6O2 and a molecular weight of 512.52 g/mol. Its IUPAC name is N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID118381335
Molecular FormulaC28H22F2N6O2
Molecular Weight512.52 g/mol
Exact Mass512.18
IUPAC NameN-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccnc(N2CCC(F)(F)C2)c1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C28H22F2N6O2/c29-28(30)9-11-36(17-28)25-14-20(8-10-32-25)33-27(37)26-23-13-18(6-7-24(23)34-35-26)19-12-22(16-31-15-19)38-21-4-2-1-3-5-21/h1-8,10,12-16H,9,11,17H2,(H,34,35)(H,32,33,37)
InChIKeyVQFOEGJVSXQUDW-UHFFFAOYSA-N
XLogP5.91
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.52
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 118381335) is N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccnc(N2CCC(F)(F)C2)c1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is VQFOEGJVSXQUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N6O2/c29-28(30)9-11-36(17-28)25-14-20(8-10-32-25)33-27(37)26-23-13-18(6-7-24(23)34-35-26)19-12-22(16-31-15-19)38-21-4-2-1-3-5-21/h1-8,10,12-16H,9,11,17H2,(H,34,35)(H,32,33,37).
What are the key properties of N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 512.52 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).