[3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid

C24H21N5O5 — CID 170314031

IUPAC[3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
SMILESCOc1ccc2ccccc2c1-c1cnc2c(C#N)cnn2c1N(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C24H21N5O5/c1-24(2,3)34-23(32)28(22(30)31)21-17(13-26-20-15(11-25)12-27-29(20)21)19-16-8-6-5-7-14(16)9-10-18(19)33-4/h5-10,12-13H,1-4H3,(H,30,31)
InChIKeyADUIJJIHOCUBGX-UHFFFAOYSA-N
MW459.46 g/mol
LogP4.85
Rot. Bonds3

About [3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid

[3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid (PubChem CID 170314031) has the molecular formula C24H21N5O5 and a molecular weight of 459.46 g/mol. Its IUPAC name is [3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid.

Molecular Properties

Compound Name[3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
PubChem CID170314031
Molecular FormulaC24H21N5O5
Molecular Weight459.46 g/mol
Exact Mass459.15
IUPAC Name[3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
SMILESCOc1ccc2ccccc2c1-c1cnc2c(C#N)cnn2c1N(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C24H21N5O5/c1-24(2,3)34-23(32)28(22(30)31)21-17(13-26-20-15(11-25)12-27-29(20)21)19-16-8-6-5-7-14(16)9-10-18(19)33-4/h5-10,12-13H,1-4H3,(H,30,31)
InChIKeyADUIJJIHOCUBGX-UHFFFAOYSA-N
XLogP4.85
TPSA130.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The IUPAC name of [3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid (CID 170314031) is [3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid.
What is the SMILES notation for [3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The canonical SMILES for [3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid is COc1ccc2ccccc2c1-c1cnc2c(C#N)cnn2c1N(C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of [3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The InChIKey is ADUIJJIHOCUBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5/c1-24(2,3)34-23(32)28(22(30)31)21-17(13-26-20-15(11-25)12-27-29(20)21)19-16-8-6-5-7-14(16)9-10-18(19)33-4/h5-10,12-13H,1-4H3,(H,30,31).
What are the key properties of [3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
[3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid has a molecular weight of 459.46 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyano-6-(2-methoxynaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid is sourced from PubChem (CID 170314031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).