(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone

C23H31N5O — CID 145316137

IUPAC(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(N5CCCC5)c4)C3)C2)c1
InChIInChI=1S/C23H31N5O/c1-19-14-24-28(15-19)22(29)27-12-8-23(18-27)7-11-25(17-23)16-20-5-4-6-21(13-20)26-9-2-3-10-26/h4-6,13-15H,2-3,7-12,16-18H2,1H3
InChIKeyMISDTBOFTHQUAK-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.36
Rot. Bonds3

About (4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone

(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone (PubChem CID 145316137) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is (4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
PubChem CID145316137
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(N5CCCC5)c4)C3)C2)c1
InChIInChI=1S/C23H31N5O/c1-19-14-24-28(15-19)22(29)27-12-8-23(18-27)7-11-25(17-23)16-20-5-4-6-21(13-20)26-9-2-3-10-26/h4-6,13-15H,2-3,7-12,16-18H2,1H3
InChIKeyMISDTBOFTHQUAK-UHFFFAOYSA-N
XLogP3.36
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7-[(2-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;bis([7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone);[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(3-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 159533540
(4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 130187631
[7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 139417629
(4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 139417575
N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
CID 135375590
[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
CID 162120598
N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide
CID 135375535
N-methyl-N-[1-[2-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375571
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45191159
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide
CID 139417522

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The IUPAC name of (4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone (CID 145316137) is (4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone.
What is the SMILES notation for (4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The canonical SMILES for (4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone is Cc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(N5CCCC5)c4)C3)C2)c1.
What is the InChIKey of (4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The InChIKey is MISDTBOFTHQUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-19-14-24-28(15-19)22(29)27-12-8-23(18-27)7-11-25(17-23)16-20-5-4-6-21(13-20)26-9-2-3-10-26/h4-6,13-15H,2-3,7-12,16-18H2,1H3.
What are the key properties of (4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone has a molecular weight of 393.54 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone is sourced from PubChem (CID 145316137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).