ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate

C19H21N5O3 — CID 67123676

IUPACethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnn3cccnc23)cc1NC1CCOCC1
InChIInChI=1S/C19H21N5O3/c1-2-27-19(25)15-11-21-16(10-17(15)23-13-4-8-26-9-5-13)14-12-22-24-7-3-6-20-18(14)24/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,21,23)
InChIKeyFUOUHBMCRRXZAP-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.56
Rot. Bonds5

About ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate

ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate (PubChem CID 67123676) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate
PubChem CID67123676
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Nameethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnn3cccnc23)cc1NC1CCOCC1
InChIInChI=1S/C19H21N5O3/c1-2-27-19(25)15-11-21-16(10-17(15)23-13-4-8-26-9-5-13)14-12-22-24-7-3-6-20-18(14)24/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,21,23)
InChIKeyFUOUHBMCRRXZAP-UHFFFAOYSA-N
XLogP2.56
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate with MolForge

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Related Compounds

Etazolate
CID 3277
Etazolate Hydrochloride
CID 37274
Tracazolate
CID 5522
Cartazolate
CID 37015
Ridine-5-carboxylic acid ethyl ester
CID 14590509
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
Ethyl 4-(4-hydroxyanilino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11406597
Ethyl 4-(4-hydroxyanilino)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11476465
Methyl 2-({[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)benzoate
CID 2164709
1-Ethyl-4-(N''-isopropylidene-hydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 53694473
Methyl 4-((5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino)benzoate
CID 654302

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate (CID 67123676) is ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate is CCOC(=O)c1cnc(-c2cnn3cccnc23)cc1NC1CCOCC1.
What is the InChIKey of ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate?
The InChIKey is FUOUHBMCRRXZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-2-27-19(25)15-11-21-16(10-17(15)23-13-4-8-26-9-5-13)14-12-22-24-7-3-6-20-18(14)24/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,21,23).
What are the key properties of ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate?
ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate is sourced from PubChem (CID 67123676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).