[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C24H33N9O3 — CID 122589752

IUPAC[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCC(N4CCOCC4)CC3)nc2n1
InChIInChI=1S/C24H33N9O3/c1-16-18(15-30(2)29-16)20-26-21-19(23(28-20)32-9-13-36-14-10-32)25-22(27-21)24(34)33-5-3-17(4-6-33)31-7-11-35-12-8-31/h15,17H,3-14H2,1-2H3,(H,25,26,27,28)
InChIKeyRLVOJBDBAURXPV-UHFFFAOYSA-N
MW495.59 g/mol
LogP0.84
Rot. Bonds4

About [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 122589752) has the molecular formula C24H33N9O3 and a molecular weight of 495.59 g/mol. Its IUPAC name is [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID122589752
Molecular FormulaC24H33N9O3
Molecular Weight495.59 g/mol
Exact Mass495.27
IUPAC Name[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCC(N4CCOCC4)CC3)nc2n1
InChIInChI=1S/C24H33N9O3/c1-16-18(15-30(2)29-16)20-26-21-19(23(28-20)32-9-13-36-14-10-32)25-22(27-21)24(34)33-5-3-17(4-6-33)31-7-11-35-12-8-31/h15,17H,3-14H2,1-2H3,(H,25,26,27,28)
InChIKeyRLVOJBDBAURXPV-UHFFFAOYSA-N
XLogP0.84
TPSA117.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone 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 [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 122589752) is [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is Cc1nn(C)cc1-c1nc(N2CCOCC2)c2[nH]c(C(=O)N3CCC(N4CCOCC4)CC3)nc2n1.
What is the InChIKey of [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is RLVOJBDBAURXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N9O3/c1-16-18(15-30(2)29-16)20-26-21-19(23(28-20)32-9-13-36-14-10-32)25-22(27-21)24(34)33-5-3-17(4-6-33)31-7-11-35-12-8-31/h15,17H,3-14H2,1-2H3,(H,25,26,27,28).
What are the key properties of [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 495.59 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dimethylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 122589752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).