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

C23H24FN5O — CID 58824471

IUPAC[2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)[C@H](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)/t15-/m0/s1
InChIKeyMEWQTZXEBPJFGN-HNNXBMFYSA-N
MW405.48 g/mol
LogP4.55
Rot. Bonds6

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

[2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824471) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824471
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name[2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)[C@H](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)/t15-/m0/s1
InChIKeyMEWQTZXEBPJFGN-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824471) is [2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CC(C)[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is MEWQTZXEBPJFGN-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of [2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-[[(2S)-3-methylbutan-2-yl]amino]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-[[(2S)-3-methylbutan-2-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).