5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine

C28H23FN6OS — CID 137034215

IUPAC5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)s1
InChIInChI=1S/C28H23FN6OS/c29-26-7-6-25(37-26)28-19-12-23(33-21(19)8-9-31-28)27-20-11-22(32-15-24(20)34-35-27)16-10-18(14-30-13-16)36-17-4-2-1-3-5-17/h6-15,17,33H,1-5H2,(H,34,35)
InChIKeyPTQQBRFEYFJWCU-UHFFFAOYSA-N
MW510.60 g/mol
LogP7.14
Rot. Bonds5

About 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137034215) has the molecular formula C28H23FN6OS and a molecular weight of 510.60 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID137034215
Molecular FormulaC28H23FN6OS
Molecular Weight510.60 g/mol
Exact Mass510.16
IUPAC Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)s1
InChIInChI=1S/C28H23FN6OS/c29-26-7-6-25(37-26)28-19-12-23(33-21(19)8-9-31-28)27-20-11-22(32-15-24(20)34-35-27)16-10-18(14-30-13-16)36-17-4-2-1-3-5-17/h6-15,17,33H,1-5H2,(H,34,35)
InChIKeyPTQQBRFEYFJWCU-UHFFFAOYSA-N
XLogP7.14
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine (CID 137034215) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)s1.
What is the InChIKey of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is PTQQBRFEYFJWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6OS/c29-26-7-6-25(37-26)28-19-12-23(33-21(19)8-9-31-28)27-20-11-22(32-15-24(20)34-35-27)16-10-18(14-30-13-16)36-17-4-2-1-3-5-17/h6-15,17,33H,1-5H2,(H,34,35).
What are the key properties of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine?
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 510.60 g/mol, XLogP of 7.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137034215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).