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

C25H33N7O2 — CID 165137556

IUPAC(2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine
SMILESCC1(Oc2ccc3[nH]nc(-c4cc(N5CCO[C@H](CCN6CCNCC6)C5)ncn4)c3c2)CC1
InChIInChI=1S/C25H33N7O2/c1-25(5-6-25)34-18-2-3-21-20(14-18)24(30-29-21)22-15-23(28-17-27-22)32-12-13-33-19(16-32)4-9-31-10-7-26-8-11-31/h2-3,14-15,17,19,26H,4-13,16H2,1H3,(H,29,30)/t19-/m1/s1
InChIKeyCYEYEERWPDZFJR-LJQANCHMSA-N
MW463.59 g/mol
LogP2.45
Rot. Bonds7

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

(2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine (PubChem CID 165137556) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is (2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine
PubChem CID165137556
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name(2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine
SMILESCC1(Oc2ccc3[nH]nc(-c4cc(N5CCO[C@H](CCN6CCNCC6)C5)ncn4)c3c2)CC1
InChIInChI=1S/C25H33N7O2/c1-25(5-6-25)34-18-2-3-21-20(14-18)24(30-29-21)22-15-23(28-17-27-22)32-12-13-33-19(16-32)4-9-31-10-7-26-8-11-31/h2-3,14-15,17,19,26H,4-13,16H2,1H3,(H,29,30)/t19-/m1/s1
InChIKeyCYEYEERWPDZFJR-LJQANCHMSA-N
XLogP2.45
TPSA91.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine?
The IUPAC name of (2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine (CID 165137556) is (2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine.
What is the SMILES notation for (2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine?
The canonical SMILES for (2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCO[C@H](CCN6CCNCC6)C5)ncn4)c3c2)CC1.
What is the InChIKey of (2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine?
The InChIKey is CYEYEERWPDZFJR-LJQANCHMSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-25(5-6-25)34-18-2-3-21-20(14-18)24(30-29-21)22-15-23(28-17-27-22)32-12-13-33-19(16-32)4-9-31-10-7-26-8-11-31/h2-3,14-15,17,19,26H,4-13,16H2,1H3,(H,29,30)/t19-/m1/s1.
What are the key properties of (2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine?
(2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine has a molecular weight of 463.59 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine is sourced from PubChem (CID 165137556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).