N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C27H27F2N7O2 — CID 118381509

IUPACN-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C27H27F2N7O2/c28-27(29)15-36(16-27)24-4-2-20(13-31-24)32-26(38)25-22-10-18(1-3-23(22)33-34-25)19-9-17(11-30-12-19)14-35-7-5-21(37)6-8-35/h1-4,9-13,21,37H,5-8,14-16H2,(H,32,38)(H,33,34)
InChIKeyCBANAVVOJQMNQH-UHFFFAOYSA-N
MW519.56 g/mol
LogP3.68
Rot. Bonds6

About N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381509) has the molecular formula C27H27F2N7O2 and a molecular weight of 519.56 g/mol. Its IUPAC name is N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381509
Molecular FormulaC27H27F2N7O2
Molecular Weight519.56 g/mol
Exact Mass519.22
IUPAC NameN-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C27H27F2N7O2/c28-27(29)15-36(16-27)24-4-2-20(13-31-24)32-26(38)25-22-10-18(1-3-23(22)33-34-25)19-9-17(11-30-12-19)14-35-7-5-21(37)6-8-35/h1-4,9-13,21,37H,5-8,14-16H2,(H,32,38)(H,33,34)
InChIKeyCBANAVVOJQMNQH-UHFFFAOYSA-N
XLogP3.68
TPSA110.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-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-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381509) is N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CC(F)(F)C2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.
What is the InChIKey of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is CBANAVVOJQMNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N7O2/c28-27(29)15-36(16-27)24-4-2-20(13-31-24)32-26(38)25-22-10-18(1-3-23(22)33-34-25)19-9-17(11-30-12-19)14-35-7-5-21(37)6-8-35/h1-4,9-13,21,37H,5-8,14-16H2,(H,32,38)(H,33,34).
What are the key properties of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).