4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide

C18H17F2N5O — CID 11222041

IUPAC4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H17F2N5O/c19-12-5-6-16(14(20)11-12)24-7-9-25(10-8-24)18(26)21-17-13-3-1-2-4-15(13)22-23-17/h1-6,11H,7-10H2,(H2,21,22,23,26)
InChIKeyPHUQDLYIBAZZSM-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.20
Rot. Bonds2

About 4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide

4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide (PubChem CID 11222041) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
PubChem CID11222041
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H17F2N5O/c19-12-5-6-16(14(20)11-12)24-7-9-25(10-8-24)18(26)21-17-13-3-1-2-4-15(13)22-23-17/h1-6,11H,7-10H2,(H2,21,22,23,26)
InChIKeyPHUQDLYIBAZZSM-UHFFFAOYSA-N
XLogP3.20
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide (CID 11222041) is 4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The InChIKey is PHUQDLYIBAZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-12-5-6-16(14(20)11-12)24-7-9-25(10-8-24)18(26)21-17-13-3-1-2-4-15(13)22-23-17/h1-6,11H,7-10H2,(H2,21,22,23,26).
What are the key properties of 4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 11222041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).