3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one

C26H26ClN5O3 — CID 71768661

IUPAC3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one
SMILESCc1ccnc(COc2cc(C)n(-c3cc(-c4cccc(C(C)(C)O)n4)ncc3C)c(=O)c2Cl)n1
InChIInChI=1S/C26H26ClN5O3/c1-15-13-29-19(18-7-6-8-22(31-18)26(4,5)34)12-20(15)32-17(3)11-21(24(27)25(32)33)35-14-23-28-10-9-16(2)30-23/h6-13,34H,14H2,1-5H3
InChIKeyGQHDRMKGJPVUSN-UHFFFAOYSA-N
MW491.98 g/mol
LogP4.47
Rot. Bonds6

About 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one

3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one (PubChem CID 71768661) has the molecular formula C26H26ClN5O3 and a molecular weight of 491.98 g/mol. Its IUPAC name is 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one
PubChem CID71768661
Molecular FormulaC26H26ClN5O3
Molecular Weight491.98 g/mol
Exact Mass491.17
IUPAC Name3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one
SMILESCc1ccnc(COc2cc(C)n(-c3cc(-c4cccc(C(C)(C)O)n4)ncc3C)c(=O)c2Cl)n1
InChIInChI=1S/C26H26ClN5O3/c1-15-13-29-19(18-7-6-8-22(31-18)26(4,5)34)12-20(15)32-17(3)11-21(24(27)25(32)33)35-14-23-28-10-9-16(2)30-23/h6-13,34H,14H2,1-5H3
InChIKeyGQHDRMKGJPVUSN-UHFFFAOYSA-N
XLogP4.47
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one?
The IUPAC name of 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one (CID 71768661) is 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one?
The canonical SMILES for 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one is Cc1ccnc(COc2cc(C)n(-c3cc(-c4cccc(C(C)(C)O)n4)ncc3C)c(=O)c2Cl)n1.
What is the InChIKey of 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one?
The InChIKey is GQHDRMKGJPVUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O3/c1-15-13-29-19(18-7-6-8-22(31-18)26(4,5)34)12-20(15)32-17(3)11-21(24(27)25(32)33)35-14-23-28-10-9-16(2)30-23/h6-13,34H,14H2,1-5H3.
What are the key properties of 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one?
3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one has a molecular weight of 491.98 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one is sourced from PubChem (CID 71768661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).