2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide

C22H20F2N6O — CID 67257229

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide
SMILESCCC[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C22H20F2N6O/c1-2-3-17(13-4-6-14(23)7-5-13)28-21-16(20(25)31)10-27-22(29-21)18-11-26-19-9-8-15(24)12-30(18)19/h4-12,17H,2-3H2,1H3,(H2,25,31)(H,27,28,29)/t17-/m0/s1
InChIKeyNSPFHGZVRCZUTJ-KRWDZBQOSA-N
MW422.44 g/mol
LogP4.12
Rot. Bonds7

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide (PubChem CID 67257229) has the molecular formula C22H20F2N6O and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide
PubChem CID67257229
Molecular FormulaC22H20F2N6O
Molecular Weight422.44 g/mol
Exact Mass422.17
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide
SMILESCCC[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C22H20F2N6O/c1-2-3-17(13-4-6-14(23)7-5-13)28-21-16(20(25)31)10-27-22(29-21)18-11-26-19-9-8-15(24)12-30(18)19/h4-12,17H,2-3H2,1H3,(H2,25,31)(H,27,28,29)/t17-/m0/s1
InChIKeyNSPFHGZVRCZUTJ-KRWDZBQOSA-N
XLogP4.12
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide (CID 67257229) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide is CCC[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide?
The InChIKey is NSPFHGZVRCZUTJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20F2N6O/c1-2-3-17(13-4-6-14(23)7-5-13)28-21-16(20(25)31)10-27-22(29-21)18-11-26-19-9-8-15(24)12-30(18)19/h4-12,17H,2-3H2,1H3,(H2,25,31)(H,27,28,29)/t17-/m0/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 67257229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).