4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide

C18H17ClFN5O — CID 11406177

IUPAC4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C18H17ClFN5O/c19-14-11-12(5-6-15(14)20)24-7-9-25(10-8-24)18(26)21-17-13-3-1-2-4-16(13)22-23-17/h1-6,11H,7-10H2,(H2,21,22,23,26)
InChIKeyGTGPODMQMQGTPT-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.71
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide

4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide (PubChem CID 11406177) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
PubChem CID11406177
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC Name4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C18H17ClFN5O/c19-14-11-12(5-6-15(14)20)24-7-9-25(10-8-24)18(26)21-17-13-3-1-2-4-16(13)22-23-17/h1-6,11H,7-10H2,(H2,21,22,23,26)
InChIKeyGTGPODMQMQGTPT-UHFFFAOYSA-N
XLogP3.71
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442766
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 122195163
1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea
CID 10068140
N-(6-chloro-1H-indazol-3-yl)-4-morpholineacetamide
CID 10085848
N-(6-chloro-5-phenyl-1H-indazol-3-yl)-N'-phenylurea
CID 10248119
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-chlorophenyl)urea
CID 11337894
1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea
CID 21079218
N-(3-chlorophenyl)-1H-indazol-3-amine
CID 25096270
N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine
CID 25096271
N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435042
N-(3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442731
1-(3-chloro-2H-indazol-5-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
CID 11306550

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide (CID 11406177) is 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The InChIKey is GTGPODMQMQGTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c19-14-11-12(5-6-15(14)20)24-7-9-25(10-8-24)18(26)21-17-13-3-1-2-4-16(13)22-23-17/h1-6,11H,7-10H2,(H2,21,22,23,26).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 11406177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).