propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate

C26H33N5O5 — CID 70866292

IUPACpropan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2cc(N3CCc4cc(NC(=O)C5CCCO5)ccc43)ncn2)CC1
InChIInChI=1S/C26H33N5O5/c1-17(2)35-26(33)30-10-8-20(9-11-30)36-24-15-23(27-16-28-24)31-12-7-18-14-19(5-6-21(18)31)29-25(32)22-4-3-13-34-22/h5-6,14-17,20,22H,3-4,7-13H2,1-2H3,(H,29,32)
InChIKeyFFZULYIEDXDXMH-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.68
Rot. Bonds6

About propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 70866292) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID70866292
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Namepropan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2cc(N3CCc4cc(NC(=O)C5CCCO5)ccc43)ncn2)CC1
InChIInChI=1S/C26H33N5O5/c1-17(2)35-26(33)30-10-8-20(9-11-30)36-24-15-23(27-16-28-24)31-12-7-18-14-19(5-6-21(18)31)29-25(32)22-4-3-13-34-22/h5-6,14-17,20,22H,3-4,7-13H2,1-2H3,(H,29,32)
InChIKeyFFZULYIEDXDXMH-UHFFFAOYSA-N
XLogP3.68
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 70866292) is propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Oc2cc(N3CCc4cc(NC(=O)C5CCCO5)ccc43)ncn2)CC1.
What is the InChIKey of propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is FFZULYIEDXDXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-17(2)35-26(33)30-10-8-20(9-11-30)36-24-15-23(27-16-28-24)31-12-7-18-14-19(5-6-21(18)31)29-25(32)22-4-3-13-34-22/h5-6,14-17,20,22H,3-4,7-13H2,1-2H3,(H,29,32).
What are the key properties of propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 495.58 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-[5-(oxolane-2-carbonylamino)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 70866292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).