ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

C19H27N5O2 — CID 91960999

IUPACethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(N3CCCC3)nc3[nH]c(C)cc23)CC1
InChIInChI=1S/C19H27N5O2/c1-3-26-18(25)14-6-10-23(11-7-14)17-15-12-13(2)20-16(15)21-19(22-17)24-8-4-5-9-24/h12,14H,3-11H2,1-2H3,(H,20,21,22)
InChIKeyOKCYOJHPCGWNNX-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.65
Rot. Bonds4

About ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 91960999) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID91960999
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Nameethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(N3CCCC3)nc3[nH]c(C)cc23)CC1
InChIInChI=1S/C19H27N5O2/c1-3-26-18(25)14-6-10-23(11-7-14)17-15-12-13(2)20-16(15)21-19(22-17)24-8-4-5-9-24/h12,14H,3-11H2,1-2H3,(H,20,21,22)
InChIKeyOKCYOJHPCGWNNX-UHFFFAOYSA-N
XLogP2.65
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 91960758
6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91960994
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430224
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
ethyl 1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidine-4-carboxylate
CID 68775709
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate
CID 8852975
ethyl 1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxylate
CID 3078665
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate (CID 91960999) is ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc(N3CCCC3)nc3[nH]c(C)cc23)CC1.
What is the InChIKey of ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is OKCYOJHPCGWNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-26-18(25)14-6-10-23(11-7-14)17-15-12-13(2)20-16(15)21-19(22-17)24-8-4-5-9-24/h12,14H,3-11H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?
ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 357.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 91960999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).