2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide

C24H23N5O3 — CID 135949152

IUPAC2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C24H23N5O3/c1-3-32-19-12-11-15-7-4-5-8-16(15)21(19)23(31)26-20-13-14(2)28-29(20)24-25-18-10-6-9-17(18)22(30)27-24/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H,26,31)(H,25,27,30)
InChIKeyYZGMEUWAYMYEPT-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.56
Rot. Bonds5

About 2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide

2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide (PubChem CID 135949152) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
PubChem CID135949152
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C24H23N5O3/c1-3-32-19-12-11-15-7-4-5-8-16(15)21(19)23(31)26-20-13-14(2)28-29(20)24-25-18-10-6-9-17(18)22(30)27-24/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H,26,31)(H,25,27,30)
InChIKeyYZGMEUWAYMYEPT-UHFFFAOYSA-N
XLogP3.56
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide (CID 135949152) is 2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is YZGMEUWAYMYEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-3-32-19-12-11-15-7-4-5-8-16(15)21(19)23(31)26-20-13-14(2)28-29(20)24-25-18-10-6-9-17(18)22(30)27-24/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H,26,31)(H,25,27,30).
What are the key properties of 2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 135949152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).