7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C23H26N6O4 — CID 143587538

IUPAC7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COC2=C(C=C(CNC(=O)c3cc(C(=O)NCC4CCCC4)n4nccc4n3)CC2)N1
InChIInChI=1S/C23H26N6O4/c30-21-13-33-19-6-5-15(9-16(19)28-21)12-24-22(31)17-10-18(29-20(27-17)7-8-26-29)23(32)25-11-14-3-1-2-4-14/h7-10,14H,1-6,11-13H2,(H,24,31)(H,25,32)(H,28,30)
InChIKeyCHUMBGYIOXGVOM-UHFFFAOYSA-N
MW450.50 g/mol
LogP1.46
Rot. Bonds6

About 7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 143587538) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID143587538
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COC2=C(C=C(CNC(=O)c3cc(C(=O)NCC4CCCC4)n4nccc4n3)CC2)N1
InChIInChI=1S/C23H26N6O4/c30-21-13-33-19-6-5-15(9-16(19)28-21)12-24-22(31)17-10-18(29-20(27-17)7-8-26-29)23(32)25-11-14-3-1-2-4-14/h7-10,14H,1-6,11-13H2,(H,24,31)(H,25,32)(H,28,30)
InChIKeyCHUMBGYIOXGVOM-UHFFFAOYSA-N
XLogP1.46
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-3-fluoro-5-N-[(Z)-2-methylidene-4-(3-methyl-5-oxo-4H-1,4-oxazin-2-yl)but-3-enyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 88267123
7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90960933
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
5-N-[(E)-2-methyl-3-(5-oxo-2-prop-2-enyl-4H-1,4-oxazin-3-yl)prop-2-enyl]-7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587604
3-fluoro-5-N-[(3-methoxy-3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-yl)methyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587678
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
7-N-[(2E,4Z)-4-[4-(butylamino)-4-oxobutan-2-ylidene]-2-but-3-ynylidenecyclohexyl]-5-N-[(2E)-2-[(2-methyl-5-oxo-4H-1,4-oxazin-3-yl)methylidene]but-3-enyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;propan-1-amine
CID 143342417
methyl 7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 143345752
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
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-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588185
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

Frequently Asked Questions

What is the IUPAC name of 7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 143587538) is 7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is O=C1COC2=C(C=C(CNC(=O)c3cc(C(=O)NCC4CCCC4)n4nccc4n3)CC2)N1.
What is the InChIKey of 7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is CHUMBGYIOXGVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c30-21-13-33-19-6-5-15(9-16(19)28-21)12-24-22(31)17-10-18(29-20(27-17)7-8-26-29)23(32)25-11-14-3-1-2-4-14/h7-10,14H,1-6,11-13H2,(H,24,31)(H,25,32)(H,28,30).
What are the key properties of 7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 450.50 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 143587538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).