(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine

C23H24FN7O — CID 139344392

IUPAC(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
SMILESCc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(C5CC5)cn34)n2)C[C@H](C)O1
InChIInChI=1S/C23H24FN7O/c1-13-10-30(12-20(32-13)16-8-27-29-14(16)2)21-5-6-25-23(28-21)19-9-26-22-7-18(24)17(11-31(19)22)15-3-4-15/h5-9,11,13,15,20H,3-4,10,12H2,1-2H3,(H,27,29)/t13-,20-/m0/s1
InChIKeyRPMZRFAWEMQAEC-RBZFPXEDSA-N
MW433.49 g/mol
LogP3.81
Rot. Bonds4

About (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine

(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine (PubChem CID 139344392) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
PubChem CID139344392
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
SMILESCc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(C5CC5)cn34)n2)C[C@H](C)O1
InChIInChI=1S/C23H24FN7O/c1-13-10-30(12-20(32-13)16-8-27-29-14(16)2)21-5-6-25-23(28-21)19-9-26-22-7-18(24)17(11-31(19)22)15-3-4-15/h5-9,11,13,15,20H,3-4,10,12H2,1-2H3,(H,27,29)/t13-,20-/m0/s1
InChIKeyRPMZRFAWEMQAEC-RBZFPXEDSA-N
XLogP3.81
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
The IUPAC name of (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine (CID 139344392) is (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
The canonical SMILES for (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine is Cc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(F)c(C5CC5)cn34)n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
The InChIKey is RPMZRFAWEMQAEC-RBZFPXEDSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-13-10-30(12-20(32-13)16-8-27-29-14(16)2)21-5-6-25-23(28-21)19-9-26-22-7-18(24)17(11-31(19)22)15-3-4-15/h5-9,11,13,15,20H,3-4,10,12H2,1-2H3,(H,27,29)/t13-,20-/m0/s1.
What are the key properties of (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine has a molecular weight of 433.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 139344392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).