[4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

C26H31ClN4O3 — CID 140914377

IUPAC[4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(C4=CCN(CCN5CCOCC5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C26H31ClN4O3/c1-33-25-14-21(18-32)22(16-23(25)27)24-17-31-7-4-20(15-26(31)28-24)19-2-5-29(6-3-19)8-9-30-10-12-34-13-11-30/h2,4,7,14-17,32H,3,5-6,8-13,18H2,1H3
InChIKeyPFFJAGPPWZZJMI-UHFFFAOYSA-N
MW483.01 g/mol
LogP3.58
Rot. Bonds7

About [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

[4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (PubChem CID 140914377) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
PubChem CID140914377
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC Name[4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(C4=CCN(CCN5CCOCC5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C26H31ClN4O3/c1-33-25-14-21(18-32)22(16-23(25)27)24-17-31-7-4-20(15-26(31)28-24)19-2-5-29(6-3-19)8-9-30-10-12-34-13-11-30/h2,4,7,14-17,32H,3,5-6,8-13,18H2,1H3
InChIKeyPFFJAGPPWZZJMI-UHFFFAOYSA-N
XLogP3.58
TPSA62.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.01
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The IUPAC name of [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (CID 140914377) is [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The canonical SMILES for [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is COc1cc(CO)c(-c2cn3ccc(C4=CCN(CCN5CCOCC5)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The InChIKey is PFFJAGPPWZZJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-33-25-14-21(18-32)22(16-23(25)27)24-17-31-7-4-20(15-26(31)28-24)19-2-5-29(6-3-19)8-9-30-10-12-34-13-11-30/h2,4,7,14-17,32H,3,5-6,8-13,18H2,1H3.
What are the key properties of [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
[4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol has a molecular weight of 483.01 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-methoxy-2-[7-[1-(2-morpholin-4-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 140914377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).