(E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine

C15H21ClN4 — CID 103092834

IUPAC(E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1cc2c(C)nn(C)c2nc1Cl
InChIInChI=1S/C15H21ClN4/c1-5-8-17-10(2)6-7-12-9-13-11(3)19-20(4)15(13)18-14(12)16/h6-7,9-10,17H,5,8H2,1-4H3/b7-6+
InChIKeyMTYFIBVCBNLOPD-VOTSOKGWSA-N
MW292.81 g/mol
LogP3.33
Rot. Bonds5

About (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine

(E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine (PubChem CID 103092834) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine
PubChem CID103092834
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name(E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1cc2c(C)nn(C)c2nc1Cl
InChIInChI=1S/C15H21ClN4/c1-5-8-17-10(2)6-7-12-9-13-11(3)19-20(4)15(13)18-14(12)16/h6-7,9-10,17H,5,8H2,1-4H3/b7-6+
InChIKeyMTYFIBVCBNLOPD-VOTSOKGWSA-N
XLogP3.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine 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

(E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine
CID 103092667
N-tert-butyl-3-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylprop-2-en-1-amine
CID 79343834
1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine
CID 115595676
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanol
CID 82036391
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 130652726
(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine
CID 103092632
(E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine
CID 103092752
6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde
CID 158784324
1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46597159
1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725533
N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 107561653
(1,3,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 82504722

Frequently Asked Questions

What is the IUPAC name of (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine (CID 103092834) is (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine is CCCNC(C)/C=C/c1cc2c(C)nn(C)c2nc1Cl.
What is the InChIKey of (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine?
The InChIKey is MTYFIBVCBNLOPD-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-5-8-17-10(2)6-7-12-9-13-11(3)19-20(4)15(13)18-14(12)16/h6-7,9-10,17H,5,8H2,1-4H3/b7-6+.
What are the key properties of (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine?
(E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine has a molecular weight of 292.81 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103092834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).