N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C34H32F3N7O3 — CID 67389439

IUPACN-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C34H32F3N7O3/c35-34(36,37)30-29(47-33(41-30)44-14-12-23(13-15-44)22-6-2-1-3-7-22)31(45)39-25-10-11-28(38-21-25)42-16-18-43(19-17-42)32(46)27-20-24-8-4-5-9-26(24)40-27/h1-11,20-21,23,40H,12-19H2,(H,39,45)
InChIKeyZSASERINWZEJFL-UHFFFAOYSA-N
MW643.67 g/mol
LogP6.17
Rot. Bonds6

About N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67389439) has the molecular formula C34H32F3N7O3 and a molecular weight of 643.67 g/mol. Its IUPAC name is N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67389439
Molecular FormulaC34H32F3N7O3
Molecular Weight643.67 g/mol
Exact Mass643.25
IUPAC NameN-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C34H32F3N7O3/c35-34(36,37)30-29(47-33(41-30)44-14-12-23(13-15-44)22-6-2-1-3-7-22)31(45)39-25-10-11-28(38-21-25)42-16-18-43(19-17-42)32(46)27-20-24-8-4-5-9-26(24)40-27/h1-11,20-21,23,40H,12-19H2,(H,39,45)
InChIKeyZSASERINWZEJFL-UHFFFAOYSA-N
XLogP6.17
TPSA110.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.67
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67389439) is N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.
What is the InChIKey of N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ZSASERINWZEJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N7O3/c35-34(36,37)30-29(47-33(41-30)44-14-12-23(13-15-44)22-6-2-1-3-7-22)31(45)39-25-10-11-28(38-21-25)42-16-18-43(19-17-42)32(46)27-20-24-8-4-5-9-26(24)40-27/h1-11,20-21,23,40H,12-19H2,(H,39,45).
What are the key properties of N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 643.67 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67389439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).