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

C27H21N5O — CID 172570832

IUPAC5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5ccc(OCc6ccccc6)cc5)cc34)cc12
InChIInChI=1S/C27H21N5O/c28-26-23-14-19(8-11-24(23)31-32-26)21-12-13-29-27-22(21)15-25(30-27)18-6-9-20(10-7-18)33-16-17-4-2-1-3-5-17/h1-15H,16H2,(H,29,30)(H3,28,31,32)
InChIKeyNVALAUVKUCLKAN-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.93
Rot. Bonds5

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

5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine (PubChem CID 172570832) has the molecular formula C27H21N5O and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
PubChem CID172570832
Molecular FormulaC27H21N5O
Molecular Weight431.50 g/mol
Exact Mass431.17
IUPAC Name5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5ccc(OCc6ccccc6)cc5)cc34)cc12
InChIInChI=1S/C27H21N5O/c28-26-23-14-19(8-11-24(23)31-32-26)21-12-13-29-27-22(21)15-25(30-27)18-6-9-20(10-7-18)33-16-17-4-2-1-3-5-17/h1-15H,16H2,(H,29,30)(H3,28,31,32)
InChIKeyNVALAUVKUCLKAN-UHFFFAOYSA-N
XLogP5.93
TPSA92.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172571031
5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172570945
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-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 138603433
5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571090
6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 165390866
5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137283033
4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 170351912
2-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137038823
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 138603098
4-pyridin-4-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 137111919

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine (CID 172570832) is 5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5ccc(OCc6ccccc6)cc5)cc34)cc12.
What is the InChIKey of 5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
The InChIKey is NVALAUVKUCLKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O/c28-26-23-14-19(8-11-24(23)31-32-26)21-12-13-29-27-22(21)15-25(30-27)18-6-9-20(10-7-18)33-16-17-4-2-1-3-5-17/h1-15H,16H2,(H,29,30)(H3,28,31,32).
What are the key properties of 5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?
5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine has a molecular weight of 431.50 g/mol, XLogP of 5.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 172570832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).