4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine

C19H17F2N7O — CID 139344376

IUPAC4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine
SMILESFC(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C19H17F2N7O/c20-18(21)12-1-2-17-23-9-15(28(17)10-12)14-3-4-22-19(26-14)27-5-6-29-16(11-27)13-7-24-25-8-13/h1-4,7-10,16,18H,5-6,11H2,(H,24,25)
InChIKeyJTJPXPYLTZGVIV-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.03
Rot. Bonds4

About 4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine

4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine (PubChem CID 139344376) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is 4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine
PubChem CID139344376
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine
SMILESFC(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C19H17F2N7O/c20-18(21)12-1-2-17-23-9-15(28(17)10-12)14-3-4-22-19(26-14)27-5-6-29-16(11-27)13-7-24-25-8-13/h1-4,7-10,16,18H,5-6,11H2,(H,24,25)
InChIKeyJTJPXPYLTZGVIV-UHFFFAOYSA-N
XLogP3.03
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine?
The IUPAC name of 4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine (CID 139344376) is 4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine?
The canonical SMILES for 4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine is FC(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of 4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine?
The InChIKey is JTJPXPYLTZGVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c20-18(21)12-1-2-17-23-9-15(28(17)10-12)14-3-4-22-19(26-14)27-5-6-29-16(11-27)13-7-24-25-8-13/h1-4,7-10,16,18H,5-6,11H2,(H,24,25).
What are the key properties of 4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine?
4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine has a molecular weight of 397.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 139344376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).