5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide

C19H21F3N6O3 — CID 137129902

IUPAC5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)N2CCC(C(F)(F)F)CC2)c(C(N)=O)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C19H21F3N6O3/c1-9-13(17(31)27-7-5-10(6-8-27)19(20,21)22)14(15(23)29)26-28(9)18-24-12-4-2-3-11(12)16(30)25-18/h10H,2-8H2,1H3,(H2,23,29)(H,24,25,30)
InChIKeyGLMMFDNBWVECMO-UHFFFAOYSA-N
MW438.41 g/mol
LogP1.27
Rot. Bonds3

About 5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide

5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide (PubChem CID 137129902) has the molecular formula C19H21F3N6O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is 5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide
PubChem CID137129902
Molecular FormulaC19H21F3N6O3
Molecular Weight438.41 g/mol
Exact Mass438.16
IUPAC Name5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)N2CCC(C(F)(F)F)CC2)c(C(N)=O)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C19H21F3N6O3/c1-9-13(17(31)27-7-5-10(6-8-27)19(20,21)22)14(15(23)29)26-28(9)18-24-12-4-2-3-11(12)16(30)25-18/h10H,2-8H2,1H3,(H2,23,29)(H,24,25,30)
InChIKeyGLMMFDNBWVECMO-UHFFFAOYSA-N
XLogP1.27
TPSA126.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide (CID 137129902) is 5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide is Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)c(C(N)=O)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide?
The InChIKey is GLMMFDNBWVECMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O3/c1-9-13(17(31)27-7-5-10(6-8-27)19(20,21)22)14(15(23)29)26-28(9)18-24-12-4-2-3-11(12)16(30)25-18/h10H,2-8H2,1H3,(H2,23,29)(H,24,25,30).
What are the key properties of 5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide?
5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-3-carboxamide is sourced from PubChem (CID 137129902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).