FUIVNBYAASAWNU-UHFFFAOYSA-N

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

C₂₉H₂₇N₅O₂ — CID 90386097

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

IUPACN-benzyl-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

SMILESCC1(C)OCC(c2cncc(-c3nc(NCc4ccccc4)c4c(-c5ccccc5)ccn4n3)c2)O1

InChIInChI=1S/C29H27N5O2/c1-29(2)35-19-25(36-29)22-15-23(18-30-17-22)27-32-28(31-16-20-9-5-3-6-10-20)26-24(13-14-34(26)33-27)21-11-7-4-8-12-21/h3-15,17-18,25H,16,19H2,1-2H3,(H,31,32,33)

InChIKeyFUIVNBYAASAWNU-UHFFFAOYSA-N

MW477.57 g/mol

LogP5.89

Rot. Bonds6

About FUIVNBYAASAWNU-UHFFFAOYSA-N

FUIVNBYAASAWNU-UHFFFAOYSA-N (PubChem CID 90386097) has the molecular formula C₂₉H₂₇N₅O₂ and a molecular weight of 477.57 g/mol. Its IUPAC name is N-benzyl-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name	FUIVNBYAASAWNU-UHFFFAOYSA-N
PubChem CID	90386097
Molecular Formula	C₂₉H₂₇N₅O₂
Molecular Weight	477.57 g/mol
Exact Mass	477.22
IUPAC Name	N-benzyl-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILES	CC1(C)OCC(c2cncc(-c3nc(NCc4ccccc4)c4c(-c5ccccc5)ccn4n3)c2)O1
InChI	InChI=1S/C29H27N5O2/c1-29(2)35-19-25(36-29)22-15-23(18-30-17-22)27-32-28(31-16-20-9-5-3-6-10-20)26-24(13-14-34(26)33-27)21-11-7-4-8-12-21/h3-15,17-18,25H,16,19H2,1-2H3,(H,31,32,33)
InChIKey	FUIVNBYAASAWNU-UHFFFAOYSA-N
XLogP	5.89
TPSA	73.57 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of FUIVNBYAASAWNU-UHFFFAOYSA-N (CID 90386097) is N-benzyl-2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-pyridinyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

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

The canonical SMILES for FUIVNBYAASAWNU-UHFFFAOYSA-N is CC1(C)OCC(c2cncc(-c3nc(NCc4ccccc4)c4c(-c5ccccc5)ccn4n3)c2)O1.

What is the InChIKey of FUIVNBYAASAWNU-UHFFFAOYSA-N?

The InChIKey is FUIVNBYAASAWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c1-29(2)35-19-25(36-29)22-15-23(18-30-17-22)27-32-28(31-16-20-9-5-3-6-10-20)26-24(13-14-34(26)33-27)21-11-7-4-8-12-21/h3-15,17-18,25H,16,19H2,1-2H3,(H,31,32,33).

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

FUIVNBYAASAWNU-UHFFFAOYSA-N has a molecular weight of 477.57 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for FUIVNBYAASAWNU-UHFFFAOYSA-N is sourced from PubChem (CID 90386097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 90386097 — identifiers, structure, computed properties (public domain)

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