[1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol

C22H27F2N7O — CID 118164327

IUPAC[1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(-c3cnc4ccc(F)cn34)nc(NC3CCCNC3)c2F)CC1
InChIInChI=1S/C22H27F2N7O/c23-15-3-4-18-26-11-17(31(18)12-15)20-28-21(27-16-2-1-7-25-10-16)19(24)22(29-20)30-8-5-14(13-32)6-9-30/h3-4,11-12,14,16,25,32H,1-2,5-10,13H2,(H,27,28,29)
InChIKeyPBUJVWCMFKKJOB-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.44
Rot. Bonds5

About [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol

[1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 118164327) has the molecular formula C22H27F2N7O and a molecular weight of 443.50 g/mol. Its IUPAC name is [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID118164327
Molecular FormulaC22H27F2N7O
Molecular Weight443.50 g/mol
Exact Mass443.22
IUPAC Name[1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(-c3cnc4ccc(F)cn34)nc(NC3CCCNC3)c2F)CC1
InChIInChI=1S/C22H27F2N7O/c23-15-3-4-18-26-11-17(31(18)12-15)20-28-21(27-16-2-1-7-25-10-16)19(24)22(29-20)30-8-5-14(13-32)6-9-30/h3-4,11-12,14,16,25,32H,1-2,5-10,13H2,(H,27,28,29)
InChIKeyPBUJVWCMFKKJOB-UHFFFAOYSA-N
XLogP2.44
TPSA90.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (CID 118164327) is [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is OCC1CCN(c2nc(-c3cnc4ccc(F)cn34)nc(NC3CCCNC3)c2F)CC1.
What is the InChIKey of [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is PBUJVWCMFKKJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N7O/c23-15-3-4-18-26-11-17(31(18)12-15)20-28-21(27-16-2-1-7-25-10-16)19(24)22(29-20)30-8-5-14(13-32)6-9-30/h3-4,11-12,14,16,25,32H,1-2,5-10,13H2,(H,27,28,29).
What are the key properties of [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 443.50 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 118164327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).