5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine

C28H23N5 — CID 172570945

IUPAC5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cccc(CCc6ccccc6)c5)cc34)cc12
InChIInChI=1S/C28H23N5/c29-27-24-16-20(11-12-25(24)32-33-27)22-13-14-30-28-23(22)17-26(31-28)21-8-4-7-19(15-21)10-9-18-5-2-1-3-6-18/h1-8,11-17H,9-10H2,(H,30,31)(H3,29,32,33)
InChIKeySXKLQVBSPRGYBZ-UHFFFAOYSA-N
MW429.53 g/mol
LogP6.14
Rot. Bonds5

About 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine

5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine (PubChem CID 172570945) has the molecular formula C28H23N5 and a molecular weight of 429.53 g/mol. Its IUPAC name is 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
PubChem CID172570945
Molecular FormulaC28H23N5
Molecular Weight429.53 g/mol
Exact Mass429.20
IUPAC Name5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cccc(CCc6ccccc6)c5)cc34)cc12
InChIInChI=1S/C28H23N5/c29-27-24-16-20(11-12-25(24)32-33-27)22-13-14-30-28-23(22)17-26(31-28)21-8-4-7-19(15-21)10-9-18-5-2-1-3-6-18/h1-8,11-17H,9-10H2,(H,30,31)(H3,29,32,33)
InChIKeySXKLQVBSPRGYBZ-UHFFFAOYSA-N
XLogP6.14
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.53
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172570832
5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172571031
4-[4-(3-amino-1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-2-one
CID 172570928
5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137283033
5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571090
4-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 137111919
4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 170351912
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137111858
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole
CID 137283027
5-[2-(2-pyridin-2-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571136
3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-indazole
CID 145253962
5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine
CID 11640651

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine (CID 172570945) is 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cccc(CCc6ccccc6)c5)cc34)cc12.
What is the InChIKey of 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
The InChIKey is SXKLQVBSPRGYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5/c29-27-24-16-20(11-12-25(24)32-33-27)22-13-14-30-28-23(22)17-26(31-28)21-8-4-7-19(15-21)10-9-18-5-2-1-3-6-18/h1-8,11-17H,9-10H2,(H,30,31)(H3,29,32,33).
What are the key properties of 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine has a molecular weight of 429.53 g/mol, XLogP of 6.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 172570945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).