N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide

C24H20F2N4O2 — CID 175435809

IUPACN-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)ccn1
InChIInChI=1S/C24H20F2N4O2/c25-24(26)32-21-9-8-18(19-14-30(17-6-7-17)29-22(19)21)16-10-11-27-20(12-16)23(31)28-13-15-4-2-1-3-5-15/h1-5,8-12,14,17,24H,6-7,13H2,(H,28,31)
InChIKeyWTSCVMADITYXBL-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.96
Rot. Bonds7

About N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide

N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide (PubChem CID 175435809) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide
PubChem CID175435809
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)ccn1
InChIInChI=1S/C24H20F2N4O2/c25-24(26)32-21-9-8-18(19-14-30(17-6-7-17)29-22(19)21)16-10-11-27-20(12-16)23(31)28-13-15-4-2-1-3-5-15/h1-5,8-12,14,17,24H,6-7,13H2,(H,28,31)
InChIKeyWTSCVMADITYXBL-UHFFFAOYSA-N
XLogP4.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US9951086, Example 68
CID 118173098
N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
US9951086, Example 46
CID 118172648
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833
US9951086, Example 12
CID 118172938
US9951086, Example 65
CID 118173075
US9951086, Example 64
CID 118173110
US9951086, Example 255
CID 118173137
US9951086, Example 71
CID 122637001
N-[2-[2-(dimethylamino)ethyl]-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 147861233

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide (CID 175435809) is N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide is O=C(NCc1ccccc1)c1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)ccn1.
What is the InChIKey of N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide?
The InChIKey is WTSCVMADITYXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c25-24(26)32-21-9-8-18(19-14-30(17-6-7-17)29-22(19)21)16-10-11-27-20(12-16)23(31)28-13-15-4-2-1-3-5-15/h1-5,8-12,14,17,24H,6-7,13H2,(H,28,31).
What are the key properties of N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide?
N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175435809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).