4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide

C27H31N5O3 — CID 118165493

IUPAC4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccc(-c2cccc(N3CCOCC3)c2)cc1
InChIInChI=1S/C27H31N5O3/c1-20-18-26-31(12-3-13-32(26)29-20)27(34)11-10-25(33)28-23-8-6-21(7-9-23)22-4-2-5-24(19-22)30-14-16-35-17-15-30/h2,4-9,18-19H,3,10-17H2,1H3,(H,28,33)
InChIKeyAKMQHSIISYVJAT-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.85
Rot. Bonds6

About 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide

4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide (PubChem CID 118165493) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide
PubChem CID118165493
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccc(-c2cccc(N3CCOCC3)c2)cc1
InChIInChI=1S/C27H31N5O3/c1-20-18-26-31(12-3-13-32(26)29-20)27(34)11-10-25(33)28-23-8-6-21(7-9-23)22-4-2-5-24(19-22)30-14-16-35-17-15-30/h2,4-9,18-19H,3,10-17H2,1H3,(H,28,33)
InChIKeyAKMQHSIISYVJAT-UHFFFAOYSA-N
XLogP3.85
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide with MolForge

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Related Compounds

N-[4-(3-fluorophenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165508
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(4-pyridazin-3-ylphenyl)butanamide
CID 118165405
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 46282397
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
CID 33164009
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 27200195
(2R)-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide
CID 67308603
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 31235022

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide (CID 118165493) is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccc(-c2cccc(N3CCOCC3)c2)cc1.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide?
The InChIKey is AKMQHSIISYVJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-20-18-26-31(12-3-13-32(26)29-20)27(34)11-10-25(33)28-23-8-6-21(7-9-23)22-4-2-5-24(19-22)30-14-16-35-17-15-30/h2,4-9,18-19H,3,10-17H2,1H3,(H,28,33).
What are the key properties of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide?
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide has a molecular weight of 473.58 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 118165493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).