[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C23H24FN5O — CID 58824393

IUPAC[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C23H24FN5O/c1-14(2)15(3)26-23-25-10-8-19(27-23)22-21(17-4-6-18(24)7-5-17)28-20-12-16(13-30)9-11-29(20)22/h4-12,14-15,30H,13H2,1-3H3,(H,25,26,27)
InChIKeyMEWQTZXEBPJFGN-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.55
Rot. Bonds6

About [2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824393) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824393
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C23H24FN5O/c1-14(2)15(3)26-23-25-10-8-19(27-23)22-21(17-4-6-18(24)7-5-17)28-20-12-16(13-30)9-11-29(20)22/h4-12,14-15,30H,13H2,1-3H3,(H,25,26,27)
InChIKeyMEWQTZXEBPJFGN-UHFFFAOYSA-N
XLogP4.55
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Fadraciclib
CID 24983461
Gsk-812397
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(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
SB-242235
CID 9863367
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
(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
(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
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol
CID 12111413
(2R)-2-{[9-(propan-2-yl)-6-{[4-(pyridin-2-yl)phenyl]amino}-9H-purin-2-yl]amino}butan-1-ol
CID 25053130

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824393) is [2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CC(C)C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is MEWQTZXEBPJFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-14(2)15(3)26-23-25-10-8-19(27-23)22-21(17-4-6-18(24)7-5-17)28-20-12-16(13-30)9-11-29(20)22/h4-12,14-15,30H,13H2,1-3H3,(H,25,26,27).
What are the key properties of [2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 405.48 g/mol, XLogP of 4.55, 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-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).