[3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C34H35F3N6O — CID 59764902

IUPAC[3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCn1c(CN(Cc2cc3ccccc3n2C)C2CCN(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C2)cc2ccccc21
InChIInChI=1S/C34H35F3N6O/c1-39-28(16-23-7-3-5-9-31(23)39)21-43(22-29-17-24-8-4-6-10-32(24)40(29)2)27-11-13-42(20-27)33(44)41-14-12-30-25(19-41)15-26(18-38-30)34(35,36)37/h3-10,15-18,27H,11-14,19-22H2,1-2H3
InChIKeyGCVLNXOCWSILRN-UHFFFAOYSA-N
MW600.69 g/mol
LogP6.34
Rot. Bonds5

About [3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 59764902) has the molecular formula C34H35F3N6O and a molecular weight of 600.69 g/mol. Its IUPAC name is [3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID59764902
Molecular FormulaC34H35F3N6O
Molecular Weight600.69 g/mol
Exact Mass600.28
IUPAC Name[3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCn1c(CN(Cc2cc3ccccc3n2C)C2CCN(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C2)cc2ccccc21
InChIInChI=1S/C34H35F3N6O/c1-39-28(16-23-7-3-5-9-31(23)39)21-43(22-29-17-24-8-4-6-10-32(24)40(29)2)27-11-13-42(20-27)33(44)41-14-12-30-25(19-41)15-26(18-38-30)34(35,36)37/h3-10,15-18,27H,11-14,19-22H2,1-2H3
InChIKeyGCVLNXOCWSILRN-UHFFFAOYSA-N
XLogP6.34
TPSA49.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.69
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 59764902) is [3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is Cn1c(CN(Cc2cc3ccccc3n2C)C2CCN(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C2)cc2ccccc21.
What is the InChIKey of [3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is GCVLNXOCWSILRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F3N6O/c1-39-28(16-23-7-3-5-9-31(23)39)21-43(22-29-17-24-8-4-6-10-32(24)40(29)2)27-11-13-42(20-27)33(44)41-14-12-30-25(19-41)15-26(18-38-30)34(35,36)37/h3-10,15-18,27H,11-14,19-22H2,1-2H3.
What are the key properties of [3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 600.69 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[bis[(1-methylindol-2-yl)methyl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 59764902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).