5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

C28H25N7S — CID 137033963

IUPAC5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1csc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C28H25N7S/c1-2-8-35(9-3-1)17-18-11-19(15-29-14-18)23-12-21-25(16-31-23)33-34-27(21)24-13-20-22(32-24)6-7-30-28(20)26-5-4-10-36-26/h4-7,10-16,32H,1-3,8-9,17H2,(H,33,34)
InChIKeyMXMZAOORXOPJEZ-UHFFFAOYSA-N
MW491.62 g/mol
LogP6.28
Rot. Bonds5

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

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137033963) has the molecular formula C28H25N7S and a molecular weight of 491.62 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID137033963
Molecular FormulaC28H25N7S
Molecular Weight491.62 g/mol
Exact Mass491.19
IUPAC Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1csc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C28H25N7S/c1-2-8-35(9-3-1)17-18-11-19(15-29-14-18)23-12-21-25(16-31-23)33-34-27(21)24-13-20-22(32-24)6-7-30-28(20)26-5-4-10-36-26/h4-7,10-16,32H,1-3,8-9,17H2,(H,33,34)
InChIKeyMXMZAOORXOPJEZ-UHFFFAOYSA-N
XLogP6.28
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-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-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137033963) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is c1csc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is MXMZAOORXOPJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7S/c1-2-8-35(9-3-1)17-18-11-19(15-29-14-18)23-12-21-25(16-31-23)33-34-27(21)24-13-20-22(32-24)6-7-30-28(20)26-5-4-10-36-26/h4-7,10-16,32H,1-3,8-9,17H2,(H,33,34).
What are the key properties of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 491.62 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137033963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).