N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C22H23F2N5O — CID 118381128

IUPACN-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C22H23F2N5O/c23-22(24)5-7-29(8-6-22)13-14-9-16(12-25-11-14)15-1-4-19-18(10-15)20(28-27-19)21(30)26-17-2-3-17/h1,4,9-12,17H,2-3,5-8,13H2,(H,26,30)(H,27,28)
InChIKeyVSKBSJDZCSNUCB-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.75
Rot. Bonds5

About N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381128) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381128
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C22H23F2N5O/c23-22(24)5-7-29(8-6-22)13-14-9-16(12-25-11-14)15-1-4-19-18(10-15)20(28-27-19)21(30)26-17-2-3-17/h1,4,9-12,17H,2-3,5-8,13H2,(H,26,30)(H,27,28)
InChIKeyVSKBSJDZCSNUCB-UHFFFAOYSA-N
XLogP3.75
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381128) is N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(NC1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.
What is the InChIKey of N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is VSKBSJDZCSNUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c23-22(24)5-7-29(8-6-22)13-14-9-16(12-25-11-14)15-1-4-19-18(10-15)20(28-27-19)21(30)26-17-2-3-17/h1,4,9-12,17H,2-3,5-8,13H2,(H,26,30)(H,27,28).
What are the key properties of N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).