N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide

C23H22F2N6O2 — CID 139431452

IUPACN-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccc(-c3cnn(C4CCNCC4)c3)cc12
InChIInChI=1S/C23H22F2N6O2/c24-23(25)33-18-4-2-16(3-5-18)28-22(32)21-19-11-14(1-6-20(19)29-30-21)15-12-27-31(13-15)17-7-9-26-10-8-17/h1-6,11-13,17,23,26H,7-10H2,(H,28,32)(H,29,30)
InChIKeyFHADHSDASGEPCV-UHFFFAOYSA-N
MW452.47 g/mol
LogP4.20
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431452) has the molecular formula C23H22F2N6O2 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431452
Molecular FormulaC23H22F2N6O2
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccc(-c3cnn(C4CCNCC4)c3)cc12
InChIInChI=1S/C23H22F2N6O2/c24-23(25)33-18-4-2-16(3-5-18)28-22(32)21-19-11-14(1-6-20(19)29-30-21)15-12-27-31(13-15)17-7-9-26-10-8-17/h1-6,11-13,17,23,26H,7-10H2,(H,28,32)(H,29,30)
InChIKeyFHADHSDASGEPCV-UHFFFAOYSA-N
XLogP4.20
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431452) is N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccc(-c3cnn(C4CCNCC4)c3)cc12.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is FHADHSDASGEPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O2/c24-23(25)33-18-4-2-16(3-5-18)28-22(32)21-19-11-14(1-6-20(19)29-30-21)15-12-27-31(13-15)17-7-9-26-10-8-17/h1-6,11-13,17,23,26H,7-10H2,(H,28,32)(H,29,30).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 452.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).