methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate

C24H29N5O3 — CID 162245489

IUPACmethyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)CC1
InChIInChI=1S/C24H29N5O3/c1-16-15-32-13-12-29(16)22-14-21(17-7-10-28(11-8-17)24(30)31-2)26-23(27-22)19-6-9-25-20-5-3-4-18(19)20/h3-4,6,9,14,16-17H,5,7-8,10-13,15H2,1-2H3/t16-/m1/s1
InChIKeyJIXMJAVUSDDGFC-MRXNPFEDSA-N
MW435.53 g/mol
LogP3.28
Rot. Bonds3

About methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate

methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate (PubChem CID 162245489) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate
PubChem CID162245489
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Namemethyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)CC1
InChIInChI=1S/C24H29N5O3/c1-16-15-32-13-12-29(16)22-14-21(17-7-10-28(11-8-17)24(30)31-2)26-23(27-22)19-6-9-25-20-5-3-4-18(19)20/h3-4,6,9,14,16-17H,5,7-8,10-13,15H2,1-2H3/t16-/m1/s1
InChIKeyJIXMJAVUSDDGFC-MRXNPFEDSA-N
XLogP3.28
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 159086952
(2S)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
CID 161359673
(3R)-3-methyl-4-[6-(1-methylsulfonylpyrrolidin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
CID 137498333
3-methyl-4-[6-(1-methylsulfanylpyrrolidin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
CID 142533131
[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 157051682
2-[2-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methylthiolane 1,1-dioxide
CID 159878955
ethane;6-methoxy-4-[4-(3-methylmorpholin-4-yl)-6-(1-methylsulfanylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine
CID 142533118
4-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 137498427
5-methyl-2-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-2,3-dihydrothiophene 1,1-dioxide
CID 137498314
(3R)-4-[6-(2-cyclohexylpyrazol-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane
CID 167562082
[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 159221410
methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate (CID 162245489) is methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)CC1.
What is the InChIKey of methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate?
The InChIKey is JIXMJAVUSDDGFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-15-32-13-12-29(16)22-14-21(17-7-10-28(11-8-17)24(30)31-2)26-23(27-22)19-6-9-25-20-5-3-4-18(19)20/h3-4,6,9,14,16-17H,5,7-8,10-13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate?
methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate has a molecular weight of 435.53 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 162245489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).