5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide

C32H27ClF3N7O4 — CID 161336877

IUPAC5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CC2)cn1.O=C(NC1(c2cocn2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H15F3N4O2.C15H12ClN3O2/c1-24-9-11(8-21-24)16(4-5-16)23-15(25)14-7-10-6-12(26-17(18,19)20)2-3-13(10)22-14;16-10-1-2-11-9(5-10)6-12(18-11)14(20)19-15(3-4-15)13-7-21-8-17-13/h2-3,6-9,22H,4-5H2,1H3,(H,23,25);1-2,5-8,18H,3-4H2,(H,19,20)
InChIKeyVMDMUUZXAZSZDY-UHFFFAOYSA-N
MW666.06 g/mol
LogP6.45
Rot. Bonds7

About 5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide

5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 161336877) has the molecular formula C32H27ClF3N7O4 and a molecular weight of 666.06 g/mol. Its IUPAC name is 5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID161336877
Molecular FormulaC32H27ClF3N7O4
Molecular Weight666.06 g/mol
Exact Mass665.18
IUPAC Name5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CC2)cn1.O=C(NC1(c2cocn2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H15F3N4O2.C15H12ClN3O2/c1-24-9-11(8-21-24)16(4-5-16)23-15(25)14-7-10-6-12(26-17(18,19)20)2-3-13(10)22-14;16-10-1-2-11-9(5-10)6-12(18-11)14(20)19-15(3-4-15)13-7-21-8-17-13/h2-3,6-9,22H,4-5H2,1H3,(H,23,25);1-2,5-8,18H,3-4H2,(H,19,20)
InChIKeyVMDMUUZXAZSZDY-UHFFFAOYSA-N
XLogP6.45
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.06
LogP ≤ 56.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-fluorophenyl)-N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 60161701
5-(3-fluorophenyl)-N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 60161702
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 60161700
5-(3-chlorophenyl)-N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 60161703
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 60162365
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 123869683
[4-(4-[1,2,3]triazol-1-yl-butyl)-phenyl]-[2-(5-trifluoromethoxy-1H-indol-2-yl)-oxazol-4-ylmethyl]-amine
CID 135510025
5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 157609776
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrrol-3-yl)cyclobutyl]ethanone;5-chloro-N-[4-(1-methylpyrrol-3-yl)oxan-4-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;2-[1-(1-methylpyrrol-3-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
CID 158299258
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrrol-3-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;2-[1-(1-methylpyrrol-3-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
CID 158499868
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 158516117
5-chloro-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethyl-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 159974727

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 161336877) is 5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is Cn1cc(C2(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CC2)cn1.O=C(NC1(c2cocn2)CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is VMDMUUZXAZSZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2.C15H12ClN3O2/c1-24-9-11(8-21-24)16(4-5-16)23-15(25)14-7-10-6-12(26-17(18,19)20)2-3-13(10)22-14;16-10-1-2-11-9(5-10)6-12(18-11)14(20)19-15(3-4-15)13-7-21-8-17-13/h2-3,6-9,22H,4-5H2,1H3,(H,23,25);1-2,5-8,18H,3-4H2,(H,19,20).
What are the key properties of 5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 666.06 g/mol, XLogP of 6.45, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 161336877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).