FTMXCPSPLOHTFQ-UHFFFAOYSA-N

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

C₂₇H₃₁N₇O₂ — CID 25071518

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

IUPAC[3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol

SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccn5)CC4)c3n2)c1

InChIInChI=1S/C27H31N7O2/c35-18-20-4-3-5-21(16-20)25-30-26(33-12-14-36-15-13-33)24-27(31-25)34(19-29-24)23-7-10-32(11-8-23)17-22-6-1-2-9-28-22/h1-6,9,16,19,23,35H,7-8,10-15,17-18H2

InChIKeyFTMXCPSPLOHTFQ-UHFFFAOYSA-N

MW485.59 g/mol

LogP3.05

Rot. Bonds6

About FTMXCPSPLOHTFQ-UHFFFAOYSA-N

FTMXCPSPLOHTFQ-UHFFFAOYSA-N (PubChem CID 25071518) has the molecular formula C₂₇H₃₁N₇O₂ and a molecular weight of 485.59 g/mol. Its IUPAC name is [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name	FTMXCPSPLOHTFQ-UHFFFAOYSA-N
PubChem CID	25071518
Molecular Formula	C₂₇H₃₁N₇O₂
Molecular Weight	485.59 g/mol
Exact Mass	485.25
IUPAC Name	[3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
SMILES	OCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccn5)CC4)c3n2)c1
InChI	InChI=1S/C27H31N7O2/c35-18-20-4-3-5-21(16-20)25-30-26(33-12-14-36-15-13-33)24-27(31-25)34(19-29-24)23-7-10-32(11-8-23)17-22-6-1-2-9-28-22/h1-6,9,16,19,23,35H,7-8,10-15,17-18H2
InChIKey	FTMXCPSPLOHTFQ-UHFFFAOYSA-N
XLogP	3.05
TPSA	92.43 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of FTMXCPSPLOHTFQ-UHFFFAOYSA-N?

The IUPAC name of FTMXCPSPLOHTFQ-UHFFFAOYSA-N (CID 25071518) is [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol.

What is the SMILES notation for FTMXCPSPLOHTFQ-UHFFFAOYSA-N?

The canonical SMILES for FTMXCPSPLOHTFQ-UHFFFAOYSA-N is OCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccn5)CC4)c3n2)c1.

What is the InChIKey of FTMXCPSPLOHTFQ-UHFFFAOYSA-N?

The InChIKey is FTMXCPSPLOHTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c35-18-20-4-3-5-21(16-20)25-30-26(33-12-14-36-15-13-33)24-27(31-25)34(19-29-24)23-7-10-32(11-8-23)17-22-6-1-2-9-28-22/h1-6,9,16,19,23,35H,7-8,10-15,17-18H2.

What are the key properties of FTMXCPSPLOHTFQ-UHFFFAOYSA-N?

FTMXCPSPLOHTFQ-UHFFFAOYSA-N has a molecular weight of 485.59 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for FTMXCPSPLOHTFQ-UHFFFAOYSA-N is sourced from PubChem (CID 25071518), 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 25071518 — identifiers, structure, computed properties (public domain)

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