3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole

C27H26FN5O — CID 145252282

IUPAC3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole
SMILESCOc1cc(F)cc(-c2nccc3[nH]c(-c4nn(C)c5ccc(C6CCNCC6)cc45)cc23)c1
InChIInChI=1S/C27H26FN5O/c1-33-25-4-3-17(16-5-8-29-9-6-16)13-22(25)27(32-33)24-15-21-23(31-24)7-10-30-26(21)18-11-19(28)14-20(12-18)34-2/h3-4,7,10-16,29,31H,5-6,8-9H2,1-2H3
InChIKeyMGWNXYMJLXPPAN-UHFFFAOYSA-N
MW455.54 g/mol
LogP5.40
Rot. Bonds4

About 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole

3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole (PubChem CID 145252282) has the molecular formula C27H26FN5O and a molecular weight of 455.54 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole
PubChem CID145252282
Molecular FormulaC27H26FN5O
Molecular Weight455.54 g/mol
Exact Mass455.21
IUPAC Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole
SMILESCOc1cc(F)cc(-c2nccc3[nH]c(-c4nn(C)c5ccc(C6CCNCC6)cc45)cc23)c1
InChIInChI=1S/C27H26FN5O/c1-33-25-4-3-17(16-5-8-29-9-6-16)13-22(25)27(32-33)24-15-21-23(31-24)7-10-30-26(21)18-11-19(28)14-20(12-18)34-2/h3-4,7,10-16,29,31H,5-6,8-9H2,1-2H3
InChIKeyMGWNXYMJLXPPAN-UHFFFAOYSA-N
XLogP5.40
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

A-443654
CID 10172943
A-674563
CID 11314340
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464
5-{5-[(2S)-2-amino-3-(5-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731499
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-(3-phenylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731507
5-{5-[(2S)-2-amino-3-(4-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731662
5-{5-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731988
5-{5-[(2S)-2-amino-3-(2,4-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731989
5-{5-[(2S)-2-amino-3-(2,4,6-trifluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731990

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole?
The IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole (CID 145252282) is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole.
What is the SMILES notation for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole?
The canonical SMILES for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole is COc1cc(F)cc(-c2nccc3[nH]c(-c4nn(C)c5ccc(C6CCNCC6)cc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole?
The InChIKey is MGWNXYMJLXPPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O/c1-33-25-4-3-17(16-5-8-29-9-6-16)13-22(25)27(32-33)24-15-21-23(31-24)7-10-30-26(21)18-11-19(28)14-20(12-18)34-2/h3-4,7,10-16,29,31H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole?
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole has a molecular weight of 455.54 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-methyl-5-piperidin-4-ylindazole is sourced from PubChem (CID 145252282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).