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

C24H24F2N6O2 — CID 139431488

IUPACN-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCN1CCC(n2cc(-c3ccc4[nH]nc(C(=O)Nc5ccc(OC(F)F)cc5)c4c3)cn2)CC1
InChIInChI=1S/C24H24F2N6O2/c1-31-10-8-18(9-11-31)32-14-16(13-27-32)15-2-7-21-20(12-15)22(30-29-21)23(33)28-17-3-5-19(6-4-17)34-24(25)26/h2-7,12-14,18,24H,8-11H2,1H3,(H,28,33)(H,29,30)
InChIKeyIKMQUJUBTMHRDC-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.55
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 139431488) has the molecular formula C24H24F2N6O2 and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID139431488
Molecular FormulaC24H24F2N6O2
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESCN1CCC(n2cc(-c3ccc4[nH]nc(C(=O)Nc5ccc(OC(F)F)cc5)c4c3)cn2)CC1
InChIInChI=1S/C24H24F2N6O2/c1-31-10-8-18(9-11-31)32-14-16(13-27-32)15-2-7-21-20(12-15)22(30-29-21)23(33)28-17-3-5-19(6-4-17)34-24(25)26/h2-7,12-14,18,24H,8-11H2,1H3,(H,28,33)(H,29,30)
InChIKeyIKMQUJUBTMHRDC-UHFFFAOYSA-N
XLogP4.55
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 139431488) is N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide is CN1CCC(n2cc(-c3ccc4[nH]nc(C(=O)Nc5ccc(OC(F)F)cc5)c4c3)cn2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is IKMQUJUBTMHRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O2/c1-31-10-8-18(9-11-31)32-14-16(13-27-32)15-2-7-21-20(12-15)22(30-29-21)23(33)28-17-3-5-19(6-4-17)34-24(25)26/h2-7,12-14,18,24H,8-11H2,1H3,(H,28,33)(H,29,30).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).