1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one

C25H33N5O2 — CID 154641045

IUPAC1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one
SMILESCc1cc(-c2[nH]c3cnc(C4CCN(C5CCOC5)CC4)nc3c2C(C)C)cn(C)c1=O
InChIInChI=1S/C25H33N5O2/c1-15(2)21-22(18-11-16(3)25(31)29(4)13-18)27-20-12-26-24(28-23(20)21)17-5-8-30(9-6-17)19-7-10-32-14-19/h11-13,15,17,19,27H,5-10,14H2,1-4H3
InChIKeyHFHGMOIIBKMUBE-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.72
Rot. Bonds4

About 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one

1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one (PubChem CID 154641045) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one
PubChem CID154641045
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one
SMILESCc1cc(-c2[nH]c3cnc(C4CCN(C5CCOC5)CC4)nc3c2C(C)C)cn(C)c1=O
InChIInChI=1S/C25H33N5O2/c1-15(2)21-22(18-11-16(3)25(31)29(4)13-18)27-20-12-26-24(28-23(20)21)17-5-8-30(9-6-17)19-7-10-32-14-19/h11-13,15,17,19,27H,5-10,14H2,1-4H3
InChIKeyHFHGMOIIBKMUBE-UHFFFAOYSA-N
XLogP3.72
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one with MolForge

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Related Compounds

2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde
CID 166865328
1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
CID 138686305
2-(2,6-dimethyl-4-pyridinyl)-4-fluoro-5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 151241178
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464445
3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464327
5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654
7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155161041
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 154641049
N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[1-(oxetan-3-yl)piperidin-4-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876491
6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 170760436
N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide
CID 166655376

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one (CID 154641045) is 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one is Cc1cc(-c2[nH]c3cnc(C4CCN(C5CCOC5)CC4)nc3c2C(C)C)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one?
The InChIKey is HFHGMOIIBKMUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-15(2)21-22(18-11-16(3)25(31)29(4)13-18)27-20-12-26-24(28-23(20)21)17-5-8-30(9-6-17)19-7-10-32-14-19/h11-13,15,17,19,27H,5-10,14H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one?
1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one has a molecular weight of 435.57 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one is sourced from PubChem (CID 154641045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).