3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole

C30H26FN5S — CID 137115387

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)s1
InChIInChI=1S/C30H26FN5S/c31-29-10-9-28(37-29)22-5-4-6-25-23(22)15-27(33-25)30-24-14-20(7-8-26(24)34-35-30)21-13-19(16-32-17-21)18-36-11-2-1-3-12-36/h4-10,13-17,33H,1-3,11-12,18H2,(H,34,35)
InChIKeyYPTXTZPFJCQDMN-UHFFFAOYSA-N
MW507.64 g/mol
LogP7.63
Rot. Bonds5

About 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole (PubChem CID 137115387) has the molecular formula C30H26FN5S and a molecular weight of 507.64 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
PubChem CID137115387
Molecular FormulaC30H26FN5S
Molecular Weight507.64 g/mol
Exact Mass507.19
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)s1
InChIInChI=1S/C30H26FN5S/c31-29-10-9-28(37-29)22-5-4-6-25-23(22)15-27(33-25)30-24-14-20(7-8-26(24)34-35-30)21-13-19(16-32-17-21)18-36-11-2-1-3-12-36/h4-10,13-17,33H,1-3,11-12,18H2,(H,34,35)
InChIKeyYPTXTZPFJCQDMN-UHFFFAOYSA-N
XLogP7.63
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole (CID 137115387) is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole is Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)s1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?
The InChIKey is YPTXTZPFJCQDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5S/c31-29-10-9-28(37-29)22-5-4-6-25-23(22)15-27(33-25)30-24-14-20(7-8-26(24)34-35-30)21-13-19(16-32-17-21)18-36-11-2-1-3-12-36/h4-10,13-17,33H,1-3,11-12,18H2,(H,34,35).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole has a molecular weight of 507.64 g/mol, XLogP of 7.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 137115387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).