4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine

C22H27N7O — CID 155552816

IUPAC4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESCn1cc(-c2nc(-c3cccnc3)cc(N3CCC(N4CCOCC4)CC3)n2)cn1
InChIInChI=1S/C22H27N7O/c1-27-16-18(15-24-27)22-25-20(17-3-2-6-23-14-17)13-21(26-22)29-7-4-19(5-8-29)28-9-11-30-12-10-28/h2-3,6,13-16,19H,4-5,7-12H2,1H3
InChIKeyHEDJDMQRMPIXCT-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.24
Rot. Bonds4

About 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine

4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine (PubChem CID 155552816) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
PubChem CID155552816
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESCn1cc(-c2nc(-c3cccnc3)cc(N3CCC(N4CCOCC4)CC3)n2)cn1
InChIInChI=1S/C22H27N7O/c1-27-16-18(15-24-27)22-25-20(17-3-2-6-23-14-17)13-21(26-22)29-7-4-19(5-8-29)28-9-11-30-12-10-28/h2-3,6,13-16,19H,4-5,7-12H2,1H3
InChIKeyHEDJDMQRMPIXCT-UHFFFAOYSA-N
XLogP2.24
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine (CID 155552816) is 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine is Cn1cc(-c2nc(-c3cccnc3)cc(N3CCC(N4CCOCC4)CC3)n2)cn1.
What is the InChIKey of 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The InChIKey is HEDJDMQRMPIXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-27-16-18(15-24-27)22-25-20(17-3-2-6-23-14-17)13-21(26-22)29-7-4-19(5-8-29)28-9-11-30-12-10-28/h2-3,6,13-16,19H,4-5,7-12H2,1H3.
What are the key properties of 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine has a molecular weight of 405.51 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1-methylpyrazol-4-yl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 155552816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).