(2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine

C22H23N7O — CID 90421805

IUPAC(2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccc(-n2c(-c3cnc(N4C[C@@H](C)O[C@@H](C)C4)nc3)nc3ccncc32)cn1
InChIInChI=1S/C22H23N7O/c1-14-4-5-18(10-24-14)29-20-11-23-7-6-19(20)27-21(29)17-8-25-22(26-9-17)28-12-15(2)30-16(3)13-28/h4-11,15-16H,12-13H2,1-3H3/t15-,16+
InChIKeyYMROBSMUHMIDHS-IYBDPMFKSA-N
MW401.47 g/mol
LogP3.19
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine

(2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine (PubChem CID 90421805) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
PubChem CID90421805
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name(2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccc(-n2c(-c3cnc(N4C[C@@H](C)O[C@@H](C)C4)nc3)nc3ccncc32)cn1
InChIInChI=1S/C22H23N7O/c1-14-4-5-18(10-24-14)29-20-11-23-7-6-19(20)27-21(29)17-8-25-22(26-9-17)28-12-15(2)30-16(3)13-28/h4-11,15-16H,12-13H2,1-3H3/t15-,16+
InChIKeyYMROBSMUHMIDHS-IYBDPMFKSA-N
XLogP3.19
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine (CID 90421805) is (2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine is Cc1ccc(-n2c(-c3cnc(N4C[C@@H](C)O[C@@H](C)C4)nc3)nc3ccncc32)cn1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
The InChIKey is YMROBSMUHMIDHS-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14-4-5-18(10-24-14)29-20-11-23-7-6-19(20)27-21(29)17-8-25-22(26-9-17)28-12-15(2)30-16(3)13-28/h4-11,15-16H,12-13H2,1-3H3/t15-,16+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
(2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine has a molecular weight of 401.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[5-[3-(6-methyl-3-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 90421805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).