N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C24H22N6 — CID 145248124

IUPACN-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3c2)c1)C(C)C
InChIInChI=1S/C24H22N6/c1-14(2)15(3)27-18-9-17(12-25-13-18)16-6-7-20-19(10-16)24(30-29-20)23-11-22-21(28-23)5-4-8-26-22/h4-14,27-28H,3H2,1-2H3,(H,29,30)
InChIKeyOBMXHTLPAMROKK-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.75
Rot. Bonds5

About N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145248124) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
PubChem CID145248124
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC NameN-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3c2)c1)C(C)C
InChIInChI=1S/C24H22N6/c1-14(2)15(3)27-18-9-17(12-25-13-18)16-6-7-20-19(10-16)24(30-29-20)23-11-22-21(28-23)5-4-8-26-22/h4-14,27-28H,3H2,1-2H3,(H,29,30)
InChIKeyOBMXHTLPAMROKK-UHFFFAOYSA-N
XLogP5.75
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-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

2-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137115617
N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137087675
5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-ol
CID 137115267
N-(3-methylbut-1-en-2-yl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088052
5-[3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
CID 145252390
N-(3-methylbut-1-en-2-yl)-5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145252394
3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137113178
N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137114998
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 137088527
3,3-dimethyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137114596
3,3-dimethyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137113607
N-but-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137087471

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145248124) is N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3c2)c1)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is OBMXHTLPAMROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-14(2)15(3)27-18-9-17(12-25-13-18)16-6-7-20-19(10-16)24(30-29-20)23-11-22-21(28-23)5-4-8-26-22/h4-14,27-28H,3H2,1-2H3,(H,29,30).
What are the key properties of N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 394.48 g/mol, XLogP of 5.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145248124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).