[2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C26H22FN5O — CID 58824380

IUPAC[2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESC[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1
InChIInChI=1S/C26H22FN5O/c1-17(19-5-3-2-4-6-19)29-26-28-13-11-22(30-26)25-24(20-7-9-21(27)10-8-20)31-23-15-18(16-33)12-14-32(23)25/h2-15,17,33H,16H2,1H3,(H,28,29,30)/t17-/m1/s1
InChIKeyOTHXKXLDXUKVMF-QGZVFWFLSA-N
MW439.49 g/mol
LogP5.26
Rot. Bonds6

About [2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824380) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824380
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC Name[2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESC[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1
InChIInChI=1S/C26H22FN5O/c1-17(19-5-3-2-4-6-19)29-26-28-13-11-22(30-26)25-24(20-7-9-21(27)10-8-20)31-23-15-18(16-33)12-14-32(23)25/h2-15,17,33H,16H2,1H3,(H,28,29,30)/t17-/m1/s1
InChIKeyOTHXKXLDXUKVMF-QGZVFWFLSA-N
XLogP5.26
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Fadraciclib
CID 24983461
Gsk-812397
CID 11718722
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
3-(4-(4-Fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl)propan-1-ol
CID 132496692
(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
(3-Methyl-5-{[4-(2-phenyl-1h-imidazol-1-yl)pyrimidin-2-yl]amino}phenyl)methanol
CID 5329428
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
TP003
CID 10001434
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
CID 12111411
(2R)-2-{[9-(propan-2-yl)-6-{[4-(pyridin-2-yl)phenyl]amino}-9H-purin-2-yl]amino}butan-1-ol
CID 25053130
(2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol
CID 25211051

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824380) is [2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is OTHXKXLDXUKVMF-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H22FN5O/c1-17(19-5-3-2-4-6-19)29-26-28-13-11-22(30-26)25-24(20-7-9-21(27)10-8-20)31-23-15-18(16-33)12-14-32(23)25/h2-15,17,33H,16H2,1H3,(H,28,29,30)/t17-/m1/s1.
What are the key properties of [2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 439.49 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).