methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate

C25H34N6O3 — CID 143979489

IUPACmethyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate
SMILESCOC(=O)N(CCOc1cc(N2CCC3(CCN(c4ccncc4)CC3)CC2)ncn1)C1CC1
InChIInChI=1S/C25H34N6O3/c1-33-24(32)31(21-2-3-21)16-17-34-23-18-22(27-19-28-23)30-14-8-25(9-15-30)6-12-29(13-7-25)20-4-10-26-11-5-20/h4-5,10-11,18-19,21H,2-3,6-9,12-17H2,1H3
InChIKeySTWQHJQFBDDCIS-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.37
Rot. Bonds7

About methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate

methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate (PubChem CID 143979489) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate.

Molecular Properties

Compound Namemethyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate
PubChem CID143979489
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Namemethyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate
SMILESCOC(=O)N(CCOc1cc(N2CCC3(CCN(c4ccncc4)CC3)CC2)ncn1)C1CC1
InChIInChI=1S/C25H34N6O3/c1-33-24(32)31(21-2-3-21)16-17-34-23-18-22(27-19-28-23)30-14-8-25(9-15-30)6-12-29(13-7-25)20-4-10-26-11-5-20/h4-5,10-11,18-19,21H,2-3,6-9,12-17H2,1H3
InChIKeySTWQHJQFBDDCIS-UHFFFAOYSA-N
XLogP3.37
TPSA83.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate with MolForge

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Related Compounds

3-(6-chloropyrimidin-4-yl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 59401695
methyl N-(2,3-diaminophenyl)-N-(1-pyridin-4-ylpiperidin-4-yl)carbamate
CID 18174473
9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane
CID 142061203
7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451210
2-methoxy-7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonane
CID 97451275
N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide
CID 45497019
8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072418
tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66569666
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 165431973
(2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97422154
methyl N-[2-amino-6-(4-methylbenzoyl)anilino]-N-(1-pyridin-4-ylpiperidin-4-yl)carbamate
CID 69361854
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171700843

Frequently Asked Questions

What is the IUPAC name of methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate?
The IUPAC name of methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate (CID 143979489) is methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate.
What is the SMILES notation for methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate?
The canonical SMILES for methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate is COC(=O)N(CCOc1cc(N2CCC3(CCN(c4ccncc4)CC3)CC2)ncn1)C1CC1.
What is the InChIKey of methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate?
The InChIKey is STWQHJQFBDDCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-33-24(32)31(21-2-3-21)16-17-34-23-18-22(27-19-28-23)30-14-8-25(9-15-30)6-12-29(13-7-25)20-4-10-26-11-5-20/h4-5,10-11,18-19,21H,2-3,6-9,12-17H2,1H3.
What are the key properties of methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate?
methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate has a molecular weight of 466.59 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate is sourced from PubChem (CID 143979489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).