2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide

C31H27FN6OS — CID 137113850

IUPAC2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C31H27FN6OS/c32-29-10-9-28(40-29)21-7-4-8-24-22(21)13-26(36-24)31-23-14-25(34-17-27(23)37-38-31)19-12-20(16-33-15-19)35-30(39)11-18-5-2-1-3-6-18/h4,7-10,12-18,36H,1-3,5-6,11H2,(H,35,39)(H,37,38)
InChIKeyMFSPSPLHNSBGFD-UHFFFAOYSA-N
MW550.66 g/mol
LogP7.94
Rot. Bonds6

About 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide

2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137113850) has the molecular formula C31H27FN6OS and a molecular weight of 550.66 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID137113850
Molecular FormulaC31H27FN6OS
Molecular Weight550.66 g/mol
Exact Mass550.20
IUPAC Name2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C31H27FN6OS/c32-29-10-9-28(40-29)21-7-4-8-24-22(21)13-26(36-24)31-23-14-25(34-17-27(23)37-38-31)19-12-20(16-33-15-19)35-30(39)11-18-5-2-1-3-6-18/h4,7-10,12-18,36H,1-3,5-6,11H2,(H,35,39)(H,37,38)
InChIKeyMFSPSPLHNSBGFD-UHFFFAOYSA-N
XLogP7.94
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 57.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137113850) is 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCCCC1)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is MFSPSPLHNSBGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN6OS/c32-29-10-9-28(40-29)21-7-4-8-24-22(21)13-26(36-24)31-23-14-25(34-17-27(23)37-38-31)19-12-20(16-33-15-19)35-30(39)11-18-5-2-1-3-6-18/h4,7-10,12-18,36H,1-3,5-6,11H2,(H,35,39)(H,37,38).
What are the key properties of 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?
2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 550.66 g/mol, XLogP of 7.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137113850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).