7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C34H46N6O4 — CID 143587994

IUPAC7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCCCC1CC(CCC)CC(C)(CN(C)C(=O)c2cc(C(=O)NCC3=CCc4c(oc(=O)n4C)C=CC3)nc3ccnn23)C1
InChIInChI=1S/C34H46N6O4/c1-6-9-24-17-25(10-7-2)20-34(3,19-24)22-38(4)32(42)28-18-26(37-30-15-16-36-40(28)30)31(41)35-21-23-11-8-12-29-27(14-13-23)39(5)33(43)44-29/h8,12-13,15-16,18,24-25H,6-7,9-11,14,17,19-22H2,1-5H3,(H,35,41)
InChIKeyAHDWYUWULWPPKD-UHFFFAOYSA-N
MW602.78 g/mol
LogP5.43
Rot. Bonds10

About 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 143587994) has the molecular formula C34H46N6O4 and a molecular weight of 602.78 g/mol. Its IUPAC name is 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID143587994
Molecular FormulaC34H46N6O4
Molecular Weight602.78 g/mol
Exact Mass602.36
IUPAC Name7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCCCC1CC(CCC)CC(C)(CN(C)C(=O)c2cc(C(=O)NCC3=CCc4c(oc(=O)n4C)C=CC3)nc3ccnn23)C1
InChIInChI=1S/C34H46N6O4/c1-6-9-24-17-25(10-7-2)20-34(3,19-24)22-38(4)32(42)28-18-26(37-30-15-16-36-40(28)30)31(41)35-21-23-11-8-12-29-27(14-13-23)39(5)33(43)44-29/h8,12-13,15-16,18,24-25H,6-7,9-11,14,17,19-22H2,1-5H3,(H,35,41)
InChIKeyAHDWYUWULWPPKD-UHFFFAOYSA-N
XLogP5.43
TPSA114.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587529
7-N-[(4-carbamoyl-3-fluorophenyl)methyl]-5-N-[(4-methyl-2-oxo-4,5-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587565
5-N-[(3E)-3-ethylidene-6-(3-methyl-5-oxo-4H-1,4-oxazin-2-yl)hex-5-enyl]-3-fluoro-7-N-(2,3,5-triethylheptyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587749
ethane;5-N-[(3E)-3-ethylidene-6-(3-methyl-5-oxo-4H-1,4-oxazin-2-yl)hex-5-enyl]-3-fluoro-7-N-(2,3,5-triethylheptyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587748
ethane;7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587993
7-[[[1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]methyl]-N-[[(5E,8Z)-3-methylidene-7,10-dihydro-4H-cycloocta[b][1,4]oxazin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;formaldehyde
CID 143588118
7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588407
5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588530
7-[[[1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]methyl]-N-[[(5E,8Z)-3-methylidene-7,10-dihydro-4H-cycloocta[b][1,4]oxazin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 143588119

Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 143587994) is 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CCCC1CC(CCC)CC(C)(CN(C)C(=O)c2cc(C(=O)NCC3=CCc4c(oc(=O)n4C)C=CC3)nc3ccnn23)C1.
What is the InChIKey of 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is AHDWYUWULWPPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N6O4/c1-6-9-24-17-25(10-7-2)20-34(3,19-24)22-38(4)32(42)28-18-26(37-30-15-16-36-40(28)30)31(41)35-21-23-11-8-12-29-27(14-13-23)39(5)33(43)44-29/h8,12-13,15-16,18,24-25H,6-7,9-11,14,17,19-22H2,1-5H3,(H,35,41).
What are the key properties of 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 602.78 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 143587994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).