7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C20H25FN6O4 — CID 90960933

IUPAC7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COCC(CNC(=O)c2cc(C(=O)NCC3CCCCC3)n3ncc(F)c3n2)N1
InChIInChI=1S/C20H25FN6O4/c21-14-9-24-27-16(20(30)22-7-12-4-2-1-3-5-12)6-15(26-18(14)27)19(29)23-8-13-10-31-11-17(28)25-13/h6,9,12-13H,1-5,7-8,10-11H2,(H,22,30)(H,23,29)(H,25,28)
InChIKeyCTDDQVCJHFJZEH-UHFFFAOYSA-N
MW432.46 g/mol
LogP0.42
Rot. Bonds6

About 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 90960933) has the molecular formula C20H25FN6O4 and a molecular weight of 432.46 g/mol. Its IUPAC name is 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID90960933
Molecular FormulaC20H25FN6O4
Molecular Weight432.46 g/mol
Exact Mass432.19
IUPAC Name7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COCC(CNC(=O)c2cc(C(=O)NCC3CCCCC3)n3ncc(F)c3n2)N1
InChIInChI=1S/C20H25FN6O4/c21-14-9-24-27-16(20(30)22-7-12-4-2-1-3-5-12)6-15(26-18(14)27)19(29)23-8-13-10-31-11-17(28)25-13/h6,9,12-13H,1-5,7-8,10-11H2,(H,22,30)(H,23,29)(H,25,28)
InChIKeyCTDDQVCJHFJZEH-UHFFFAOYSA-N
XLogP0.42
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(7-Isopropylpyrazolo[1,5-a]pyrimidin-5-yl)(morpholino)methanone
CID 53015026
N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 74248545
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
3-fluoro-7-N-[[4-(methylsulfonylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91276053
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
(9S)-9-methyl-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione
CID 133071367
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
9-{[5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162628141
5-methyl-N-(2-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110111301
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
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

Frequently Asked Questions

What is the IUPAC name of 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 90960933) is 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is O=C1COCC(CNC(=O)c2cc(C(=O)NCC3CCCCC3)n3ncc(F)c3n2)N1.
What is the InChIKey of 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is CTDDQVCJHFJZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O4/c21-14-9-24-27-16(20(30)22-7-12-4-2-1-3-5-12)6-15(26-18(14)27)19(29)23-8-13-10-31-11-17(28)25-13/h6,9,12-13H,1-5,7-8,10-11H2,(H,22,30)(H,23,29)(H,25,28).
What are the key properties of 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 432.46 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 90960933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).