3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide

C22H26N4O2 — CID 102555694

IUPAC3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NC1CCCCc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-14-17(15(2)26-20(23-14)13-22(28)25-26)11-12-21(27)24-19-10-6-4-8-16-7-3-5-9-18(16)19/h3,5,7,9,13,19H,4,6,8,10-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPXVQDIFGCPTOQG-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.16
Rot. Bonds4

About 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide

3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide (PubChem CID 102555694) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide
PubChem CID102555694
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NC1CCCCc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-14-17(15(2)26-20(23-14)13-22(28)25-26)11-12-21(27)24-19-10-6-4-8-16-7-3-5-9-18(16)19/h3,5,7,9,13,19H,4,6,8,10-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPXVQDIFGCPTOQG-UHFFFAOYSA-N
XLogP3.16
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 91638738
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 96548701
2-[3-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]benzoic acid
CID 166201852
3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28578102
3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43876941
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
3-(3,4-difluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 46686154
3-(2-hydroxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9437286
3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide
CID 167983830
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide (CID 102555694) is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide is Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NC1CCCCc2ccccc21.
What is the InChIKey of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide?
The InChIKey is PXVQDIFGCPTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-17(15(2)26-20(23-14)13-22(28)25-26)11-12-21(27)24-19-10-6-4-8-16-7-3-5-9-18(16)19/h3,5,7,9,13,19H,4,6,8,10-12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide?
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide has a molecular weight of 378.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide is sourced from PubChem (CID 102555694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).