2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate

C23H23N5O2 — CID 141199935

IUPAC2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2N)cc1
InChIInChI=1S/C23H23N5O2/c1-15(2)14-30-23(29)27-18-10-8-17(9-11-18)19-12-25-22-20(13-26-28(22)21(19)24)16-6-4-3-5-7-16/h3-13,15H,14,24H2,1-2H3,(H,27,29)
InChIKeyAXYBATQXVPWPFU-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.85
Rot. Bonds5

About 2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate

2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate (PubChem CID 141199935) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate
PubChem CID141199935
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2N)cc1
InChIInChI=1S/C23H23N5O2/c1-15(2)14-30-23(29)27-18-10-8-17(9-11-18)19-12-25-22-20(13-26-28(22)21(19)24)16-6-4-3-5-7-16/h3-13,15H,14,24H2,1-2H3,(H,27,29)
InChIKeyAXYBATQXVPWPFU-UHFFFAOYSA-N
XLogP4.85
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate (CID 141199935) is 2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate is CC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2N)cc1.
What is the InChIKey of 2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate?
The InChIKey is AXYBATQXVPWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15(2)14-30-23(29)27-18-10-8-17(9-11-18)19-12-25-22-20(13-26-28(22)21(19)24)16-6-4-3-5-7-16/h3-13,15H,14,24H2,1-2H3,(H,27,29).
What are the key properties of 2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate?
2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate has a molecular weight of 401.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]carbamate is sourced from PubChem (CID 141199935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).