1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide

C19H29N5O4S — CID 110224378

IUPAC1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(c2cc(=O)n3[nH]c(C)cc3n2)C(C)C)CC1
InChIInChI=1S/C19H29N5O4S/c1-5-29(27,28)23-8-6-14(7-9-23)19(26)21-18(12(2)3)15-11-17(25)24-16(20-15)10-13(4)22-24/h10-12,14,18,22H,5-9H2,1-4H3,(H,21,26)
InChIKeyXDYMPNZHZSTKNA-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.21
Rot. Bonds6

About 1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide (PubChem CID 110224378) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide
PubChem CID110224378
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC Name1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(c2cc(=O)n3[nH]c(C)cc3n2)C(C)C)CC1
InChIInChI=1S/C19H29N5O4S/c1-5-29(27,28)23-8-6-14(7-9-23)19(26)21-18(12(2)3)15-11-17(25)24-16(20-15)10-13(4)22-24/h10-12,14,18,22H,5-9H2,1-4H3,(H,21,26)
InChIKeyXDYMPNZHZSTKNA-UHFFFAOYSA-N
XLogP1.21
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide (CID 110224378) is 1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC(c2cc(=O)n3[nH]c(C)cc3n2)C(C)C)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide?
The InChIKey is XDYMPNZHZSTKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c1-5-29(27,28)23-8-6-14(7-9-23)19(26)21-18(12(2)3)15-11-17(25)24-16(20-15)10-13(4)22-24/h10-12,14,18,22H,5-9H2,1-4H3,(H,21,26).
What are the key properties of 1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 110224378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).