N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

C26H33ClF3N5 — CID 90785759

IUPACN-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NC2CCN(CCCN3CC4CN(c5ccc(Cl)cc5)CC4C3)CC2)nc1
InChIInChI=1S/C26H33ClF3N5/c27-22-3-5-24(6-4-22)35-17-19-15-34(16-20(19)18-35)11-1-10-33-12-8-23(9-13-33)32-25-7-2-21(14-31-25)26(28,29)30/h2-7,14,19-20,23H,1,8-13,15-18H2,(H,31,32)
InChIKeyBHZWPDWOSKQKGD-UHFFFAOYSA-N
MW508.03 g/mol
LogP5.09
Rot. Bonds7

About N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 90785759) has the molecular formula C26H33ClF3N5 and a molecular weight of 508.03 g/mol. Its IUPAC name is N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID90785759
Molecular FormulaC26H33ClF3N5
Molecular Weight508.03 g/mol
Exact Mass507.24
IUPAC NameN-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NC2CCN(CCCN3CC4CN(c5ccc(Cl)cc5)CC4C3)CC2)nc1
InChIInChI=1S/C26H33ClF3N5/c27-22-3-5-24(6-4-22)35-17-19-15-34(16-20(19)18-35)11-1-10-33-12-8-23(9-13-33)32-25-7-2-21(14-31-25)26(28,29)30/h2-7,14,19-20,23H,1,8-13,15-18H2,(H,31,32)
InChIKeyBHZWPDWOSKQKGD-UHFFFAOYSA-N
XLogP5.09
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.03
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

4-[5-[4-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]butan-1-one
CID 88872935
4-[5-(4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]butan-1-one
CID 58577071
3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]propan-1-one;methane
CID 157149117
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311693
N-[(3S)-1-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]pyrrolidin-3-yl]acetamide
CID 170267045
4-[4-(4-chlorophenyl)piperazin-1-yl]-1-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]butan-1-one
CID 58576378
methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133273523
4-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfanylphenyl]piperazin-2-one
CID 167479323
5-tert-butyl-N-(1-ethylpiperidin-4-yl)pyridin-2-amine
CID 107874539
N-(4-ethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 63540704
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
tert-butyl N-[(3S)-1-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]piperidin-3-yl]carbamate
CID 170267104

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 90785759) is N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NC2CCN(CCCN3CC4CN(c5ccc(Cl)cc5)CC4C3)CC2)nc1.
What is the InChIKey of N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BHZWPDWOSKQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClF3N5/c27-22-3-5-24(6-4-22)35-17-19-15-34(16-20(19)18-35)11-1-10-33-12-8-23(9-13-33)32-25-7-2-21(14-31-25)26(28,29)30/h2-7,14,19-20,23H,1,8-13,15-18H2,(H,31,32).
What are the key properties of N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 508.03 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 90785759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).