(2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

C28H34N4O3 — CID 42434992

IUPAC(2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cnn(-c3ccccc3OC)c1)CC2
InChIInChI=1S/C28H34N4O3/c1-34-25-9-5-3-7-22(25)11-14-29-27(33)23-17-28(23)12-15-31(16-13-28)19-21-18-30-32(20-21)24-8-4-6-10-26(24)35-2/h3-10,18,20,23H,11-17,19H2,1-2H3,(H,29,33)/t23-/m0/s1
InChIKeyDISPJCUTWISQNI-QHCPKHFHSA-N
MW474.61 g/mol
LogP3.85
Rot. Bonds9

About (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42434992) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42434992
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name(2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cnn(-c3ccccc3OC)c1)CC2
InChIInChI=1S/C28H34N4O3/c1-34-25-9-5-3-7-22(25)11-14-29-27(33)23-17-28(23)12-15-31(16-13-28)19-21-18-30-32(20-21)24-8-4-6-10-26(24)35-2/h3-10,18,20,23H,11-17,19H2,1-2H3,(H,29,33)/t23-/m0/s1
InChIKeyDISPJCUTWISQNI-QHCPKHFHSA-N
XLogP3.85
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-6-[(4-ethylphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26275088
6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 56852963
6-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45170225
(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42245962
(2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42275265
(2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42382339
8-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74235732
(5S)-9-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97186663
(2S)-6-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42167921
4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine
CID 131935843
(2S)-6-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125159900
6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45168104

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 42434992) is (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cnn(-c3ccccc3OC)c1)CC2.
What is the InChIKey of (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is DISPJCUTWISQNI-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-34-25-9-5-3-7-22(25)11-14-29-27(33)23-17-28(23)12-15-31(16-13-28)19-21-18-30-32(20-21)24-8-4-6-10-26(24)35-2/h3-10,18,20,23H,11-17,19H2,1-2H3,(H,29,33)/t23-/m0/s1.
What are the key properties of (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42434992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).