ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C19H19F3N6O3 — CID 26136726

IUPACethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc3ncccn3n1)CC2
InChIInChI=1S/C19H19F3N6O3/c1-2-31-18(30)16-12-11-26(8-4-14(12)27(25-16)9-5-19(20,21)22)17(29)13-10-15-23-6-3-7-28(15)24-13/h3,6-7,10H,2,4-5,8-9,11H2,1H3
InChIKeyYPFRYRFZFDEDOD-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.25
Rot. Bonds5

About ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26136726) has the molecular formula C19H19F3N6O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26136726
Molecular FormulaC19H19F3N6O3
Molecular Weight436.39 g/mol
Exact Mass436.15
IUPAC Nameethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc3ncccn3n1)CC2
InChIInChI=1S/C19H19F3N6O3/c1-2-31-18(30)16-12-11-26(8-4-14(12)27(25-16)9-5-19(20,21)22)17(29)13-10-15-23-6-3-7-28(15)24-13/h3,6-7,10H,2,4-5,8-9,11H2,1H3
InChIKeyYPFRYRFZFDEDOD-UHFFFAOYSA-N
XLogP2.25
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345
US12414952, Example 17.22
CID 148491736
US11186582, Example 288
CID 118472647
5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-(4-morpholinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4765150
methyl 10-cyclopropyl-2-(1,5-dimethyl-1H-pyrazol-4-yl)-8-(trifluoromethyl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-4-carboxylate
CID 19916090
Methyl 10-cyclopropyl-2-(1,3-dimethyl-1H-pyrazol-4-YL)-8-(trifluoromethyl)pyrido[2',3':3,4]pyrazolo[1,5-A]pyrimidine-4-carboxylate
CID 19916141
methyl 10-cyclopropyl-2-(1-ethyl-1H-pyrazol-3-yl)-8-(trifluoromethyl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-4-carboxylate
CID 19916247
Ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 20729814
Methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 20729817
Ethyl 1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
CID 58739210
Ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
CID 58739212
Ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-3-carboxylate
CID 58739218

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26136726) is ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc3ncccn3n1)CC2.
What is the InChIKey of ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is YPFRYRFZFDEDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O3/c1-2-31-18(30)16-12-11-26(8-4-14(12)27(25-16)9-5-19(20,21)22)17(29)13-10-15-23-6-3-7-28(15)24-13/h3,6-7,10H,2,4-5,8-9,11H2,1H3.
What are the key properties of ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 436.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26136726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).