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

C27H30ClN7O3 — CID 140914400

IUPAC[4-chloro-5-methoxy-2-[7-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H30ClN7O3/c1-37-24-14-19(18-36)21(16-22(24)28)23-17-35-5-3-20(15-26(35)30-23)32-6-8-33(9-7-32)25-2-4-29-27(31-25)34-10-12-38-13-11-34/h2-5,14-17,36H,6-13,18H2,1H3
InChIKeyWNXUTXYNFUVQNT-UHFFFAOYSA-N
MW536.04 g/mol
LogP3.11
Rot. Bonds6

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

[4-chloro-5-methoxy-2-[7-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (PubChem CID 140914400) has the molecular formula C27H30ClN7O3 and a molecular weight of 536.04 g/mol. Its IUPAC name is [4-chloro-5-methoxy-2-[7-[4-(2-morpholin-4-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-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
PubChem CID140914400
Molecular FormulaC27H30ClN7O3
Molecular Weight536.04 g/mol
Exact Mass535.21
IUPAC Name[4-chloro-5-methoxy-2-[7-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H30ClN7O3/c1-37-24-14-19(18-36)21(16-22(24)28)23-17-35-5-3-20(15-26(35)30-23)32-6-8-33(9-7-32)25-2-4-29-27(31-25)34-10-12-38-13-11-34/h2-5,14-17,36H,6-13,18H2,1H3
InChIKeyWNXUTXYNFUVQNT-UHFFFAOYSA-N
XLogP3.11
TPSA91.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.04
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methoxy-2-[7-[4-(2-morpholin-4-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-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (CID 140914400) is [4-chloro-5-methoxy-2-[7-[4-(2-morpholin-4-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-morpholin-4-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-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-chloro-5-methoxy-2-[7-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The InChIKey is WNXUTXYNFUVQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN7O3/c1-37-24-14-19(18-36)21(16-22(24)28)23-17-35-5-3-20(15-26(35)30-23)32-6-8-33(9-7-32)25-2-4-29-27(31-25)34-10-12-38-13-11-34/h2-5,14-17,36H,6-13,18H2,1H3.
What are the key properties of [4-chloro-5-methoxy-2-[7-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
[4-chloro-5-methoxy-2-[7-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol has a molecular weight of 536.04 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-methoxy-2-[7-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 140914400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).