4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine

C18H17N7O — CID 90397974

IUPAC4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESc1nc(-c2n[nH]c3ccc(-c4cn[nH]c4)cc23)cc(N2CCOCC2)n1
InChIInChI=1S/C18H17N7O/c1-2-15-14(7-12(1)13-9-21-22-10-13)18(24-23-15)16-8-17(20-11-19-16)25-3-5-26-6-4-25/h1-2,7-11H,3-6H2,(H,21,22)(H,23,24)
InChIKeySBYFSTORQNPBFZ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.25
Rot. Bonds3

About 4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine

4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 90397974) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
PubChem CID90397974
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESc1nc(-c2n[nH]c3ccc(-c4cn[nH]c4)cc23)cc(N2CCOCC2)n1
InChIInChI=1S/C18H17N7O/c1-2-15-14(7-12(1)13-9-21-22-10-13)18(24-23-15)16-8-17(20-11-19-16)25-3-5-26-6-4-25/h1-2,7-11H,3-6H2,(H,21,22)(H,23,24)
InChIKeySBYFSTORQNPBFZ-UHFFFAOYSA-N
XLogP2.25
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (CID 90397974) is 4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is c1nc(-c2n[nH]c3ccc(-c4cn[nH]c4)cc23)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is SBYFSTORQNPBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-2-15-14(7-12(1)13-9-21-22-10-13)18(24-23-15)16-8-17(20-11-19-16)25-3-5-26-6-4-25/h1-2,7-11H,3-6H2,(H,21,22)(H,23,24).
What are the key properties of 4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 347.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 90397974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).