5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide

C19H18ClN5O3 — CID 135551866

IUPAC5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C19H18ClN5O3/c1-10-8-16(22-18(27)13-9-11(20)6-7-15(13)28-2)25(24-10)19-21-14-5-3-4-12(14)17(26)23-19/h6-9H,3-5H2,1-2H3,(H,22,27)(H,21,23,26)
InChIKeyLMCGATKSBUNYGW-UHFFFAOYSA-N
MW399.84 g/mol
LogP2.67
Rot. Bonds4

About 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide

5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide (PubChem CID 135551866) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide
PubChem CID135551866
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C19H18ClN5O3/c1-10-8-16(22-18(27)13-9-11(20)6-7-15(13)28-2)25(24-10)19-21-14-5-3-4-12(14)17(26)23-19/h6-9H,3-5H2,1-2H3,(H,22,27)(H,21,23,26)
InChIKeyLMCGATKSBUNYGW-UHFFFAOYSA-N
XLogP2.67
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide (CID 135551866) is 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide?
The InChIKey is LMCGATKSBUNYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-10-8-16(22-18(27)13-9-11(20)6-7-15(13)28-2)25(24-10)19-21-14-5-3-4-12(14)17(26)23-19/h6-9H,3-5H2,1-2H3,(H,22,27)(H,21,23,26).
What are the key properties of 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide?
5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 399.84 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 135551866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).