(3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide

C19H24ClN9O3 — CID 129072614

IUPAC(3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)Nc2ccc(OC)nc2OC)CCN1c1nc(N)nc2c(Cl)cnn12
InChIInChI=1S/C19H24ClN9O3/c1-4-11-10-27(19(30)23-13-5-6-14(31-2)24-16(13)32-3)7-8-28(11)18-26-17(21)25-15-12(20)9-22-29(15)18/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,21,25)(H,23,30)/t11-/m0/s1
InChIKeyARGIYTQEPIAMLO-NSHDSACASA-N
MW461.91 g/mol
LogP1.90
Rot. Bonds5

About (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide

(3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide (PubChem CID 129072614) has the molecular formula C19H24ClN9O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide
PubChem CID129072614
Molecular FormulaC19H24ClN9O3
Molecular Weight461.91 g/mol
Exact Mass461.17
IUPAC Name(3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)Nc2ccc(OC)nc2OC)CCN1c1nc(N)nc2c(Cl)cnn12
InChIInChI=1S/C19H24ClN9O3/c1-4-11-10-27(19(30)23-13-5-6-14(31-2)24-16(13)32-3)7-8-28(11)18-26-17(21)25-15-12(20)9-22-29(15)18/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,21,25)(H,23,30)/t11-/m0/s1
InChIKeyARGIYTQEPIAMLO-NSHDSACASA-N
XLogP1.90
TPSA136.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118763053
N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 136579408
N-(6-methoxy-2-methyl-3-pyridinyl)-3-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 138047057
(3S)-4-(5-amino-1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 129097013
4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 110194609
4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 136577034
3-(2,6-dimethoxy-3-pyridinyl)-1-methyl-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 97456455
4-(5-chloro-2-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663114
(3S)-4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 118611796
(3R)-4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 118611787
4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide
CID 99638467
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-chloro-4-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 122443936

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide?
The IUPAC name of (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide (CID 129072614) is (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide.
What is the SMILES notation for (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide?
The canonical SMILES for (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide is CC[C@H]1CN(C(=O)Nc2ccc(OC)nc2OC)CCN1c1nc(N)nc2c(Cl)cnn12.
What is the InChIKey of (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide?
The InChIKey is ARGIYTQEPIAMLO-NSHDSACASA-N. The full InChI is InChI=1S/C19H24ClN9O3/c1-4-11-10-27(19(30)23-13-5-6-14(31-2)24-16(13)32-3)7-8-28(11)18-26-17(21)25-15-12(20)9-22-29(15)18/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,21,25)(H,23,30)/t11-/m0/s1.
What are the key properties of (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide?
(3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide has a molecular weight of 461.91 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-N-(2,6-dimethoxy-3-pyridinyl)-3-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 129072614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).