7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine

C24H31N5O — CID 110244715

IUPAC7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(Cc4ccncc4)CC3)c12
InChIInChI=1S/C24H31N5O/c1-17-18(2)29(20-5-3-4-6-20)23-22(17)24(27-16-26-23)30-21-9-13-28(14-10-21)15-19-7-11-25-12-8-19/h7-8,11-12,16,20-21H,3-6,9-10,13-15H2,1-2H3
InChIKeySSYKEEPCKWKBIS-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.60
Rot. Bonds5

About 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine

7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (PubChem CID 110244715) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
PubChem CID110244715
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(Cc4ccncc4)CC3)c12
InChIInChI=1S/C24H31N5O/c1-17-18(2)29(20-5-3-4-6-20)23-22(17)24(27-16-26-23)30-21-9-13-28(14-10-21)15-19-7-11-25-12-8-19/h7-8,11-12,16,20-21H,3-6,9-10,13-15H2,1-2H3
InChIKeySSYKEEPCKWKBIS-UHFFFAOYSA-N
XLogP4.60
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
2-[4-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 44522302
2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434594
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 72911709
4-(1-benzylpiperidin-4-yl)oxy-6-[2-(1,3,2-dioxathian-5-yl)phenoxy]-5-methylpyrimidine
CID 91498623
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
4-[(4-ethenylpiperidin-1-yl)methyl]pyridine
CID 142137767
N,N-dimethyl-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824330
2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one
CID 46959379
4-(1-benzylpiperidin-4-yl)oxy-6-[4-(1,3,2-dioxathian-5-yl)phenoxy]-5-methylpyrimidine
CID 91239520
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (CID 110244715) is 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(Cc4ccncc4)CC3)c12.
What is the InChIKey of 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is SSYKEEPCKWKBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-17-18(2)29(20-5-3-4-6-20)23-22(17)24(27-16-26-23)30-21-9-13-28(14-10-21)15-19-7-11-25-12-8-19/h7-8,11-12,16,20-21H,3-6,9-10,13-15H2,1-2H3.
What are the key properties of 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine has a molecular weight of 405.55 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 110244715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).