1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide

C27H30F2N4O2 — CID 10227663

IUPAC1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide
SMILESCCCCn1ccc2ccc(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CCc3ccn[nH]3)cc21
InChIInChI=1S/C27H30F2N4O2/c1-2-3-11-33-12-9-19-4-5-20(16-25(19)33)27(35)31-24(15-18-13-21(28)17-22(29)14-18)26(34)7-6-23-8-10-30-32-23/h4-5,8-10,12-14,16-17,24,26,34H,2-3,6-7,11,15H2,1H3,(H,30,32)(H,31,35)
InChIKeyWUSLPRMRFGUDMP-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.78
Rot. Bonds11

About 1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide

1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide (PubChem CID 10227663) has the molecular formula C27H30F2N4O2 and a molecular weight of 480.56 g/mol. Its IUPAC name is 1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide
PubChem CID10227663
Molecular FormulaC27H30F2N4O2
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide
SMILESCCCCn1ccc2ccc(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CCc3ccn[nH]3)cc21
InChIInChI=1S/C27H30F2N4O2/c1-2-3-11-33-12-9-19-4-5-20(16-25(19)33)27(35)31-24(15-18-13-21(28)17-22(29)14-18)26(34)7-6-23-8-10-30-32-23/h4-5,8-10,12-14,16-17,24,26,34H,2-3,6-7,11,15H2,1H3,(H,30,32)(H,31,35)
InChIKeyWUSLPRMRFGUDMP-UHFFFAOYSA-N
XLogP4.78
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide?
The IUPAC name of 1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide (CID 10227663) is 1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide.
What is the SMILES notation for 1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide?
The canonical SMILES for 1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide is CCCCn1ccc2ccc(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CCc3ccn[nH]3)cc21.
What is the InChIKey of 1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide?
The InChIKey is WUSLPRMRFGUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O2/c1-2-3-11-33-12-9-19-4-5-20(16-25(19)33)27(35)31-24(15-18-13-21(28)17-22(29)14-18)26(34)7-6-23-8-10-30-32-23/h4-5,8-10,12-14,16-17,24,26,34H,2-3,6-7,11,15H2,1H3,(H,30,32)(H,31,35).
What are the key properties of 1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide?
1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 4.78, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]indole-6-carboxamide is sourced from PubChem (CID 10227663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).