Fudapirine

Name: Fudapirine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₄H₃₃ClN₂O₂ — CID 156777270

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

IUPAC(1R,2S)-1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol

SMILESCOc1ncc(-c2ccc(Cl)cc2)cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12

InChIInChI=1S/C34H33ClN2O2/c1-37(2)21-20-34(38,31-15-9-13-25-10-7-8-14-29(25)31)32(26-11-5-4-6-12-26)30-22-27(23-36-33(30)39-3)24-16-18-28(35)19-17-24/h4-19,22-23,32,38H,20-21H2,1-3H3/t32-,34-/m1/s1

InChIKeyMMUCHWPQRGEHDV-ZFEZZJPFSA-N

MW537.10 g/mol

LogP7.54

Rot. Bonds9

About Fudapirine

Fudapirine (PubChem CID 156777270) has the molecular formula C₃₄H₃₃ClN₂O₂ and a molecular weight of 537.10 g/mol. Its IUPAC name is (1R,2S)-1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol.

Molecular Properties

Compound Name	Fudapirine
PubChem CID	156777270
Molecular Formula	C₃₄H₃₃ClN₂O₂
Molecular Weight	537.10 g/mol
Exact Mass	536.22
IUPAC Name	(1R,2S)-1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILES	COc1ncc(-c2ccc(Cl)cc2)cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12
InChI	InChI=1S/C34H33ClN2O2/c1-37(2)21-20-34(38,31-15-9-13-25-10-7-8-14-29(25)31)32(26-11-5-4-6-12-26)30-22-27(23-36-33(30)39-3)24-16-18-28(35)19-17-24/h4-19,22-23,32,38H,20-21H2,1-3H3/t32-,34-/m1/s1
InChIKey	MMUCHWPQRGEHDV-ZFEZZJPFSA-N
XLogP	7.54
TPSA	45.59 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.10
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Fudapirine?

The IUPAC name of Fudapirine (CID 156777270) is (1R,2S)-1-[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol.

What is the SMILES notation for Fudapirine?

The canonical SMILES for Fudapirine is COc1ncc(-c2ccc(Cl)cc2)cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12.

What is the InChIKey of Fudapirine?

The InChIKey is MMUCHWPQRGEHDV-ZFEZZJPFSA-N. The full InChI is InChI=1S/C34H33ClN2O2/c1-37(2)21-20-34(38,31-15-9-13-25-10-7-8-14-29(25)31)32(26-11-5-4-6-12-26)30-22-27(23-36-33(30)39-3)24-16-18-28(35)19-17-24/h4-19,22-23,32,38H,20-21H2,1-3H3/t32-,34-/m1/s1.

What are the key properties of Fudapirine?

Fudapirine has a molecular weight of 537.10 g/mol, XLogP of 7.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Fudapirine is sourced from PubChem (CID 156777270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156777270 — identifiers, structure, computed properties (public domain)

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