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

C18H17N7O — CID 90397968

IUPAC4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)[nH]n1
InChIInChI=1S/C18H17N7O/c1-2-15-13(9-12(1)14-3-4-21-22-14)18(24-23-15)16-10-17(20-11-19-16)25-5-7-26-8-6-25/h1-4,9-11H,5-8H2,(H,21,22)(H,23,24)
InChIKeySBXKHNKILBXHRD-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.25
Rot. Bonds3

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

4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 90397968) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
PubChem CID90397968
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)[nH]n1
InChIInChI=1S/C18H17N7O/c1-2-15-13(9-12(1)14-3-4-21-22-14)18(24-23-15)16-10-17(20-11-19-16)25-5-7-26-8-6-25/h1-4,9-11H,5-8H2,(H,21,22)(H,23,24)
InChIKeySBXKHNKILBXHRD-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-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (CID 90397968) is 4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is c1cc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)[nH]n1.
What is the InChIKey of 4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is SBXKHNKILBXHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-2-15-13(9-12(1)14-3-4-21-22-14)18(24-23-15)16-10-17(20-11-19-16)25-5-7-26-8-6-25/h1-4,9-11H,5-8H2,(H,21,22)(H,23,24).
What are the key properties of 4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
4-[6-[5-(1H-pyrazol-5-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-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 90397968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).