[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

C25H22F2N4O2 — CID 124981037

IUPAC[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2cc(C(=O)N3CCO[C@@H](c4cccc(Cc5c(F)cccc5F)n4)C3)nc2c1
InChIInChI=1S/C25H22F2N4O2/c1-16-8-9-30-14-22(29-24(30)12-16)25(32)31-10-11-33-23(15-31)21-7-2-4-17(28-21)13-18-19(26)5-3-6-20(18)27/h2-9,12,14,23H,10-11,13,15H2,1H3/t23-/m1/s1
InChIKeyMNHANTLPTNKAQE-HSZRJFAPSA-N
MW448.47 g/mol
LogP4.12
Rot. Bonds4

About [(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 124981037) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is [(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID124981037
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2cc(C(=O)N3CCO[C@@H](c4cccc(Cc5c(F)cccc5F)n4)C3)nc2c1
InChIInChI=1S/C25H22F2N4O2/c1-16-8-9-30-14-22(29-24(30)12-16)25(32)31-10-11-33-23(15-31)21-7-2-4-17(28-21)13-18-19(26)5-3-6-20(18)27/h2-9,12,14,23H,10-11,13,15H2,1H3/t23-/m1/s1
InChIKeyMNHANTLPTNKAQE-HSZRJFAPSA-N
XLogP4.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 124981037) is [(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1ccn2cc(C(=O)N3CCO[C@@H](c4cccc(Cc5c(F)cccc5F)n4)C3)nc2c1.
What is the InChIKey of [(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is MNHANTLPTNKAQE-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c1-16-8-9-30-14-22(29-24(30)12-16)25(32)31-10-11-33-23(15-31)21-7-2-4-17(28-21)13-18-19(26)5-3-6-20(18)27/h2-9,12,14,23H,10-11,13,15H2,1H3/t23-/m1/s1.
What are the key properties of [(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 448.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 124981037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).