N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C18H18F3N5O — CID 139431469

IUPACN-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)NC4CCC(F)(F)CC4)n[nH]c3cc2F)cn1
InChIInChI=1S/C18H18F3N5O/c1-26-9-10(8-22-26)12-6-13-15(7-14(12)19)24-25-16(13)17(27)23-11-2-4-18(20,21)5-3-11/h6-9,11H,2-5H2,1H3,(H,23,27)(H,24,25)
InChIKeyQVKIODSKDACHKR-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.41
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431469) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431469
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC NameN-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)NC4CCC(F)(F)CC4)n[nH]c3cc2F)cn1
InChIInChI=1S/C18H18F3N5O/c1-26-9-10(8-22-26)12-6-13-15(7-14(12)19)24-25-16(13)17(27)23-11-2-4-18(20,21)5-3-11/h6-9,11H,2-5H2,1H3,(H,23,27)(H,24,25)
InChIKeyQVKIODSKDACHKR-UHFFFAOYSA-N
XLogP3.41
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431469) is N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2cc3c(C(=O)NC4CCC(F)(F)CC4)n[nH]c3cc2F)cn1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is QVKIODSKDACHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-26-9-10(8-22-26)12-6-13-15(7-14(12)19)24-25-16(13)17(27)23-11-2-4-18(20,21)5-3-11/h6-9,11H,2-5H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).