N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C18H20FN5O — CID 139431519

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCCC[C@H]4F)c3c2)cn1
InChIInChI=1S/C18H20FN5O/c1-24-10-12(9-20-24)11-6-7-15-13(8-11)17(23-22-15)18(25)21-16-5-3-2-4-14(16)19/h6-10,14,16H,2-5H2,1H3,(H,21,25)(H,22,23)/t14-,16-/m1/s1
InChIKeyIRPXRWSABOHMJB-GDBMZVCRSA-N
MW341.39 g/mol
LogP2.97
Rot. Bonds3

About N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431519) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431519
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCCC[C@H]4F)c3c2)cn1
InChIInChI=1S/C18H20FN5O/c1-24-10-12(9-20-24)11-6-7-15-13(8-11)17(23-22-15)18(25)21-16-5-3-2-4-14(16)19/h6-10,14,16H,2-5H2,1H3,(H,21,25)(H,22,23)/t14-,16-/m1/s1
InChIKeyIRPXRWSABOHMJB-GDBMZVCRSA-N
XLogP2.97
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431519) is N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCCC[C@H]4F)c3c2)cn1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is IRPXRWSABOHMJB-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-24-10-12(9-20-24)11-6-7-15-13(8-11)17(23-22-15)18(25)21-16-5-3-2-4-14(16)19/h6-10,14,16H,2-5H2,1H3,(H,21,25)(H,22,23)/t14-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).