PIM-447 HCl

Name: PIM-447 HCl — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₄ClF₃N₄O — CID 126970584

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

IUPACN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride

SMILESC[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1.Cl

InChIInChI=1S/C24H23F3N4O.ClH/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26;/h2-8,12-15H,9-11,28H2,1H3,(H,31,32);1H/t13-,14+,15-;/m0./s1

InChIKeyYLXJAYNSTBYEEU-HWKASLJMSA-N

MW476.93 g/mol

LogP5.47

Rot. Bonds4

About PIM-447 HCl

PIM-447 HCl (PubChem CID 126970584) has the molecular formula C₂₄H₂₄ClF₃N₄O and a molecular weight of 476.93 g/mol. Its IUPAC name is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name	PIM-447 HCl
PubChem CID	126970584
Molecular Formula	C₂₄H₂₄ClF₃N₄O
Molecular Weight	476.93 g/mol
Exact Mass	476.16
IUPAC Name	N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
SMILES	C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1.Cl
InChI	InChI=1S/C24H23F3N4O.ClH/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26;/h2-8,12-15H,9-11,28H2,1H3,(H,31,32);1H/t13-,14+,15-;/m0./s1
InChIKey	YLXJAYNSTBYEEU-HWKASLJMSA-N
XLogP	5.47
TPSA	80.90 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.93
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of PIM-447 HCl?

The IUPAC name of PIM-447 HCl (CID 126970584) is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for PIM-447 HCl?

The canonical SMILES for PIM-447 HCl is C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1.Cl.

What is the InChIKey of PIM-447 HCl?

The InChIKey is YLXJAYNSTBYEEU-HWKASLJMSA-N. The full InChI is InChI=1S/C24H23F3N4O.ClH/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26;/h2-8,12-15H,9-11,28H2,1H3,(H,31,32);1H/t13-,14+,15-;/m0./s1.

What are the key properties of PIM-447 HCl?

PIM-447 HCl has a molecular weight of 476.93 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for PIM-447 HCl is sourced from PubChem (CID 126970584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 126970584 — identifiers, structure, computed properties (public domain)

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