BDMDKGVLDDBIFR-NRFANRHFSA-N

Name: BDMDKGVLDDBIFR-NRFANRHFSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₀H₂₆F₃N₅O — CID 142751832

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[6-(3-phenoxyphenyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

SMILESFC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(-c3cccc(Oc4ccccc4)c3)ccc12

InChIInChI=1S/C30H26F3N5O/c31-30(32,33)26-18-36-29(37-21-7-5-13-34-16-21)38-28(26)25-17-35-27-15-20(11-12-24(25)27)19-6-4-10-23(14-19)39-22-8-2-1-3-9-22/h1-4,6,8-12,14-15,17-18,21,34-35H,5,7,13,16H2,(H,36,37,38)/t21-/m0/s1

InChIKeyBDMDKGVLDDBIFR-NRFANRHFSA-N

MW529.57 g/mol

LogP7.27

Rot. Bonds6

About BDMDKGVLDDBIFR-NRFANRHFSA-N

BDMDKGVLDDBIFR-NRFANRHFSA-N (PubChem CID 142751832) has the molecular formula C₃₀H₂₆F₃N₅O and a molecular weight of 529.57 g/mol. Its IUPAC name is 4-[6-(3-phenoxyphenyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name	BDMDKGVLDDBIFR-NRFANRHFSA-N
PubChem CID	142751832
Molecular Formula	C₃₀H₂₆F₃N₅O
Molecular Weight	529.57 g/mol
Exact Mass	529.21
IUPAC Name	4-[6-(3-phenoxyphenyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILES	FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(-c3cccc(Oc4ccccc4)c3)ccc12
InChI	InChI=1S/C30H26F3N5O/c31-30(32,33)26-18-36-29(37-21-7-5-13-34-16-21)38-28(26)25-17-35-27-15-20(11-12-24(25)27)19-6-4-10-23(14-19)39-22-8-2-1-3-9-22/h1-4,6,8-12,14-15,17-18,21,34-35H,5,7,13,16H2,(H,36,37,38)/t21-/m0/s1
InChIKey	BDMDKGVLDDBIFR-NRFANRHFSA-N
XLogP	7.27
TPSA	74.86 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.57
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of BDMDKGVLDDBIFR-NRFANRHFSA-N?

The IUPAC name of BDMDKGVLDDBIFR-NRFANRHFSA-N (CID 142751832) is 4-[6-(3-phenoxyphenyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for BDMDKGVLDDBIFR-NRFANRHFSA-N?

The canonical SMILES for BDMDKGVLDDBIFR-NRFANRHFSA-N is FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(-c3cccc(Oc4ccccc4)c3)ccc12.

What is the InChIKey of BDMDKGVLDDBIFR-NRFANRHFSA-N?

The InChIKey is BDMDKGVLDDBIFR-NRFANRHFSA-N. The full InChI is InChI=1S/C30H26F3N5O/c31-30(32,33)26-18-36-29(37-21-7-5-13-34-16-21)38-28(26)25-17-35-27-15-20(11-12-24(25)27)19-6-4-10-23(14-19)39-22-8-2-1-3-9-22/h1-4,6,8-12,14-15,17-18,21,34-35H,5,7,13,16H2,(H,36,37,38)/t21-/m0/s1.

What are the key properties of BDMDKGVLDDBIFR-NRFANRHFSA-N?

BDMDKGVLDDBIFR-NRFANRHFSA-N has a molecular weight of 529.57 g/mol, XLogP of 7.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for BDMDKGVLDDBIFR-NRFANRHFSA-N is sourced from PubChem (CID 142751832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 142751832 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.