4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine

C20H18N6O — CID 118930237

IUPAC4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine
SMILESc1cncc(-c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)c1
InChIInChI=1S/C20H18N6O/c1-2-16(12-21-5-1)15-3-4-17-13-24-26(18(17)10-15)20-11-19(22-14-23-20)25-6-8-27-9-7-25/h1-5,10-14H,6-9H2
InChIKeySNBSSBPPFZVVKS-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.71
Rot. Bonds3

About 4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine

4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 118930237) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine
PubChem CID118930237
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine
SMILESc1cncc(-c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)c1
InChIInChI=1S/C20H18N6O/c1-2-16(12-21-5-1)15-3-4-17-13-24-26(18(17)10-15)20-11-19(22-14-23-20)25-6-8-27-9-7-25/h1-5,10-14H,6-9H2
InChIKeySNBSSBPPFZVVKS-UHFFFAOYSA-N
XLogP2.71
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine (CID 118930237) is 4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine is c1cncc(-c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)c1.
What is the InChIKey of 4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is SNBSSBPPFZVVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-16(12-21-5-1)15-3-4-17-13-24-26(18(17)10-15)20-11-19(22-14-23-20)25-6-8-27-9-7-25/h1-5,10-14H,6-9H2.
What are the key properties of 4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 358.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 118930237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).