N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

C32H24FN5S — CID 137038063

IUPACN-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)cc45)cc23)s1
InChIInChI=1S/C32H24FN5S/c33-31-12-11-30(39-31)24-7-4-8-27-25(24)15-29(36-27)32-26-14-22(9-10-28(26)37-38-32)23-13-21(18-35-19-23)17-34-16-20-5-2-1-3-6-20/h1-15,18-19,34,36H,16-17H2,(H,37,38)
InChIKeyYNLQOXDADGUFLI-UHFFFAOYSA-N
MW529.64 g/mol
LogP7.93
Rot. Bonds7

About N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 137038063) has the molecular formula C32H24FN5S and a molecular weight of 529.64 g/mol. Its IUPAC name is N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
PubChem CID137038063
Molecular FormulaC32H24FN5S
Molecular Weight529.64 g/mol
Exact Mass529.17
IUPAC NameN-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)cc45)cc23)s1
InChIInChI=1S/C32H24FN5S/c33-31-12-11-30(39-31)24-7-4-8-27-25(24)15-29(36-27)32-26-14-22(9-10-28(26)37-38-32)23-13-21(18-35-19-23)17-34-16-20-5-2-1-3-6-20/h1-15,18-19,34,36H,16-17H2,(H,37,38)
InChIKeyYNLQOXDADGUFLI-UHFFFAOYSA-N
XLogP7.93
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.64
LogP ≤ 57.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfanyl}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647014
4-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,2-thiazole
CID 135559062
2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,3-thiazole
CID 135559063
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224696
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137034241
1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137088047
N-[[5-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137115539
N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137115576
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137116466
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(2-thiophen-3-ylethynyl)-2H-indazole
CID 175335064
4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 71729718
5-fluoro-4-[7-(1H-indol-4-yl)-1-benzothiophen-2-yl]-N-[2-(triazol-1-yl)ethyl]pyrimidin-2-amine
CID 57445117

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 137038063) is N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)cc45)cc23)s1.
What is the InChIKey of N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The InChIKey is YNLQOXDADGUFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN5S/c33-31-12-11-30(39-31)24-7-4-8-27-25(24)15-29(36-27)32-26-14-22(9-10-28(26)37-38-32)23-13-21(18-35-19-23)17-34-16-20-5-2-1-3-6-20/h1-15,18-19,34,36H,16-17H2,(H,37,38).
What are the key properties of N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 529.64 g/mol, XLogP of 7.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 137038063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).