[2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

C23H24ClN7O2 — CID 140914542

IUPAC[2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5nccc(N)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H24ClN7O2/c1-33-20-10-15(14-32)17(12-18(20)24)19-13-31-5-3-16(11-22(31)27-19)29-6-8-30(9-7-29)23-26-4-2-21(25)28-23/h2-5,10-13,32H,6-9,14H2,1H3,(H2,25,26,28)
InChIKeyXXIUMPSVOGTPAL-UHFFFAOYSA-N
MW465.95 g/mol
LogP2.85
Rot. Bonds5

About [2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol

[2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914542) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is [2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914542
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC Name[2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5nccc(N)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H24ClN7O2/c1-33-20-10-15(14-32)17(12-18(20)24)19-13-31-5-3-16(11-22(31)27-19)29-6-8-30(9-7-29)23-26-4-2-21(25)28-23/h2-5,10-13,32H,6-9,14H2,1H3,(H2,25,26,28)
InChIKeyXXIUMPSVOGTPAL-UHFFFAOYSA-N
XLogP2.85
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol (CID 140914542) is [2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCN(c5nccc(N)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of [2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is XXIUMPSVOGTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c1-33-20-10-15(14-32)17(12-18(20)24)19-13-31-5-3-16(11-22(31)27-19)29-6-8-30(9-7-29)23-26-4-2-21(25)28-23/h2-5,10-13,32H,6-9,14H2,1H3,(H2,25,26,28).
What are the key properties of [2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
[2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 465.95 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).