N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide

C20H19N5O2 — CID 138031200

IUPACN-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide
SMILESO=C(Nc1ccccc1-n1ncc2c(=O)[nH]cnc21)C1CC2CC1C1CC21
InChIInChI=1S/C20H19N5O2/c26-19-15-8-23-25(18(15)21-9-22-19)17-4-2-1-3-16(17)24-20(27)14-6-10-5-12(14)13-7-11(10)13/h1-4,8-14H,5-7H2,(H,24,27)(H,21,22,26)
InChIKeyDVWDHFBPDIWLEK-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.34
Rot. Bonds3

About N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide

N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide (PubChem CID 138031200) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide
PubChem CID138031200
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide
SMILESO=C(Nc1ccccc1-n1ncc2c(=O)[nH]cnc21)C1CC2CC1C1CC21
InChIInChI=1S/C20H19N5O2/c26-19-15-8-23-25(18(15)21-9-22-19)17-4-2-1-3-16(17)24-20(27)14-6-10-5-12(14)13-7-11(10)13/h1-4,8-14H,5-7H2,(H,24,27)(H,21,22,26)
InChIKeyDVWDHFBPDIWLEK-UHFFFAOYSA-N
XLogP2.34
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide?
The IUPAC name of N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide (CID 138031200) is N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide.
What is the SMILES notation for N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide?
The canonical SMILES for N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide is O=C(Nc1ccccc1-n1ncc2c(=O)[nH]cnc21)C1CC2CC1C1CC21.
What is the InChIKey of N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide?
The InChIKey is DVWDHFBPDIWLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-19-15-8-23-25(18(15)21-9-22-19)17-4-2-1-3-16(17)24-20(27)14-6-10-5-12(14)13-7-11(10)13/h1-4,8-14H,5-7H2,(H,24,27)(H,21,22,26).
What are the key properties of N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide?
N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]tricyclo[3.2.1.02,4]octane-6-carboxamide is sourced from PubChem (CID 138031200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).