4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine

C23H29N5O2 — CID 78322102

IUPAC4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine
SMILESCC(C)CC1COCCN1c1cc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)ncn1
InChIInChI=1S/C23H29N5O2/c1-15(2)10-16-13-29-9-8-28(16)21-12-20(24-14-25-21)22-18-11-17(30-23(3)6-7-23)4-5-19(18)26-27-22/h4-5,11-12,14-16H,6-10,13H2,1-3H3,(H,26,27)
InChIKeyREOZPTGHCATALY-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.20
Rot. Bonds6

About 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine

4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine (PubChem CID 78322102) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine
PubChem CID78322102
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine
SMILESCC(C)CC1COCCN1c1cc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)ncn1
InChIInChI=1S/C23H29N5O2/c1-15(2)10-16-13-29-9-8-28(16)21-12-20(24-14-25-21)22-18-11-17(30-23(3)6-7-23)4-5-19(18)26-27-22/h4-5,11-12,14-16H,6-10,13H2,1-3H3,(H,26,27)
InChIKeyREOZPTGHCATALY-UHFFFAOYSA-N
XLogP4.20
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine?
The IUPAC name of 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine (CID 78322102) is 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine.
What is the SMILES notation for 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine?
The canonical SMILES for 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine is CC(C)CC1COCCN1c1cc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)ncn1.
What is the InChIKey of 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine?
The InChIKey is REOZPTGHCATALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(2)10-16-13-29-9-8-28(16)21-12-20(24-14-25-21)22-18-11-17(30-23(3)6-7-23)4-5-19(18)26-27-22/h4-5,11-12,14-16H,6-10,13H2,1-3H3,(H,26,27).
What are the key properties of 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine?
4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine has a molecular weight of 407.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine is sourced from PubChem (CID 78322102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).