Pemigatinib

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

C₂₄H₂₇F₂N₅O₄ — CID 86705695

💊View drug profile → pemigatinib

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

IUPAC11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one

SMILESCCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21

InChIInChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)

InChIKeyHCDMJFOHIXMBOV-UHFFFAOYSA-N

MW487.51 g/mol

LogP3.66

Rot. Bonds6

About Pemigatinib

Pemigatinib (PubChem CID 86705695) has the molecular formula C₂₄H₂₇F₂N₅O₄ and a molecular weight of 487.51 g/mol. Its IUPAC name is 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one.

Molecular Properties

Compound Name	Pemigatinib
PubChem CID	86705695
Molecular Formula	C₂₄H₂₇F₂N₅O₄
Molecular Weight	487.51 g/mol
Exact Mass	487.20
IUPAC Name	11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
SMILES	CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21
InChI	InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
InChIKey	HCDMJFOHIXMBOV-UHFFFAOYSA-N
XLogP	3.66
TPSA	83.16 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.51
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Pemigatinib?

The IUPAC name of Pemigatinib (CID 86705695) is 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one.

What is the SMILES notation for Pemigatinib?

The canonical SMILES for Pemigatinib is CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21.

What is the InChIKey of Pemigatinib?

The InChIKey is HCDMJFOHIXMBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28).

What are the key properties of Pemigatinib?

Pemigatinib has a molecular weight of 487.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Pemigatinib is sourced from PubChem (CID 86705695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 86705695 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5390 — approved-drug record (CC BY-SA 4.0)

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