[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

C26H35N7O2 — CID 55678130

IUPAC[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n2ncnc2n1
InChIInChI=1S/C26H35N7O2/c1-17-9-22(33-25(29-17)27-16-28-33)30-5-7-31(8-6-30)23(34)21-3-2-4-32(21)24(35)26-13-18-10-19(14-26)12-20(11-18)15-26/h9,16,18-21H,2-8,10-15H2,1H3
InChIKeyFWPKRXBAMXJWKC-UHFFFAOYSA-N
MW477.61 g/mol
LogP2.29
Rot. Bonds3

About [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 55678130) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID55678130
Molecular FormulaC26H35N7O2
Molecular Weight477.61 g/mol
Exact Mass477.29
IUPAC Name[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n2ncnc2n1
InChIInChI=1S/C26H35N7O2/c1-17-9-22(33-25(29-17)27-16-28-33)30-5-7-31(8-6-30)23(34)21-3-2-4-32(21)24(35)26-13-18-10-19(14-26)12-20(11-18)15-26/h9,16,18-21H,2-8,10-15H2,1H3
InChIKeyFWPKRXBAMXJWKC-UHFFFAOYSA-N
XLogP2.29
TPSA86.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 55852432
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119872438
(2S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxylic acid
CID 120964867
[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512274
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86973877
[(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 124628785
[(2S)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 36713542
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 119402982
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 42917859
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900344
2-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-methylpropanamide
CID 75534006

Frequently Asked Questions

What is the IUPAC name of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 55678130) is [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)C3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n2ncnc2n1.
What is the InChIKey of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is FWPKRXBAMXJWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-17-9-22(33-25(29-17)27-16-28-33)30-5-7-31(8-6-30)23(34)21-3-2-4-32(21)24(35)26-13-18-10-19(14-26)12-20(11-18)15-26/h9,16,18-21H,2-8,10-15H2,1H3.
What are the key properties of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 477.61 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 55678130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).