2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C16H19ClN4O5 — CID 118540100

IUPAC2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCOCC1c1c(C(=O)O)cnc2cc(Cl)nn12
InChIInChI=1S/C16H19ClN4O5/c1-16(2,3)26-15(24)20-4-5-25-8-10(20)13-9(14(22)23)7-18-12-6-11(17)19-21(12)13/h6-7,10H,4-5,8H2,1-3H3,(H,22,23)
InChIKeyPDVPSZXTEVYOOZ-UHFFFAOYSA-N
MW382.80 g/mol
LogP2.39
Rot. Bonds2

About 2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 118540100) has the molecular formula C16H19ClN4O5 and a molecular weight of 382.80 g/mol. Its IUPAC name is 2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID118540100
Molecular FormulaC16H19ClN4O5
Molecular Weight382.80 g/mol
Exact Mass382.10
IUPAC Name2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCOCC1c1c(C(=O)O)cnc2cc(Cl)nn12
InChIInChI=1S/C16H19ClN4O5/c1-16(2,3)26-15(24)20-4-5-25-8-10(20)13-9(14(22)23)7-18-12-6-11(17)19-21(12)13/h6-7,10H,4-5,8H2,1-3H3,(H,22,23)
InChIKeyPDVPSZXTEVYOOZ-UHFFFAOYSA-N
XLogP2.39
TPSA106.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 118540100) is 2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CC(C)(C)OC(=O)N1CCOCC1c1c(C(=O)O)cnc2cc(Cl)nn12.
What is the InChIKey of 2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is PDVPSZXTEVYOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O5/c1-16(2,3)26-15(24)20-4-5-25-8-10(20)13-9(14(22)23)7-18-12-6-11(17)19-21(12)13/h6-7,10H,4-5,8H2,1-3H3,(H,22,23).
What are the key properties of 2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 382.80 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 118540100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).