[4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

C28H32ClN7O2 — CID 140914390

IUPAC[4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCCCC6)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C28H32ClN7O2/c1-38-25-15-20(19-37)22(17-23(25)29)24-18-36-10-6-21(16-27(36)31-24)33-11-13-34(14-12-33)26-5-7-30-28(32-26)35-8-3-2-4-9-35/h5-7,10,15-18,37H,2-4,8-9,11-14,19H2,1H3
InChIKeySLNHIGOHGMISLO-UHFFFAOYSA-N
MW534.06 g/mol
LogP4.26
Rot. Bonds6

About [4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

[4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (PubChem CID 140914390) has the molecular formula C28H32ClN7O2 and a molecular weight of 534.06 g/mol. Its IUPAC name is [4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
PubChem CID140914390
Molecular FormulaC28H32ClN7O2
Molecular Weight534.06 g/mol
Exact Mass533.23
IUPAC Name[4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCCCC6)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C28H32ClN7O2/c1-38-25-15-20(19-37)22(17-23(25)29)24-18-36-10-6-21(16-27(36)31-24)33-11-13-34(14-12-33)26-5-7-30-28(32-26)35-8-3-2-4-9-35/h5-7,10,15-18,37H,2-4,8-9,11-14,19H2,1H3
InChIKeySLNHIGOHGMISLO-UHFFFAOYSA-N
XLogP4.26
TPSA82.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.06
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The IUPAC name of [4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (CID 140914390) is [4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The canonical SMILES for [4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCCCC6)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The InChIKey is SLNHIGOHGMISLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN7O2/c1-38-25-15-20(19-37)22(17-23(25)29)24-18-36-10-6-21(16-27(36)31-24)33-11-13-34(14-12-33)26-5-7-30-28(32-26)35-8-3-2-4-9-35/h5-7,10,15-18,37H,2-4,8-9,11-14,19H2,1H3.
What are the key properties of [4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
[4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol has a molecular weight of 534.06 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-methoxy-2-[7-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 140914390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).