6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

C27H27N7O2 — CID 118482127

IUPAC6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNc3nccc4nn(Cc5ccc(OC6CCOCC6)nc5)cc34)ccc12
InChIInChI=1S/C27H27N7O2/c28-26-22-3-1-18(13-20(22)5-9-29-26)14-32-27-23-17-34(33-24(23)6-10-30-27)16-19-2-4-25(31-15-19)36-21-7-11-35-12-8-21/h1-6,9-10,13,15,17,21H,7-8,11-12,14,16H2,(H2,28,29)(H,30,32)
InChIKeyMCQGJKSEYSVLDM-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.17
Rot. Bonds7

About 6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 118482127) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
PubChem CID118482127
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CNc3nccc4nn(Cc5ccc(OC6CCOCC6)nc5)cc34)ccc12
InChIInChI=1S/C27H27N7O2/c28-26-22-3-1-18(13-20(22)5-9-29-26)14-32-27-23-17-34(33-24(23)6-10-30-27)16-19-2-4-25(31-15-19)36-21-7-11-35-12-8-21/h1-6,9-10,13,15,17,21H,7-8,11-12,14,16H2,(H2,28,29)(H,30,32)
InChIKeyMCQGJKSEYSVLDM-UHFFFAOYSA-N
XLogP4.17
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The IUPAC name of 6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (CID 118482127) is 6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(OC6CCOCC6)nc5)cc34)ccc12.
What is the InChIKey of 6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The InChIKey is MCQGJKSEYSVLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c28-26-22-3-1-18(13-20(22)5-9-29-26)14-32-27-23-17-34(33-24(23)6-10-30-27)16-19-2-4-25(31-15-19)36-21-7-11-35-12-8-21/h1-6,9-10,13,15,17,21H,7-8,11-12,14,16H2,(H2,28,29)(H,30,32).
What are the key properties of 6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine has a molecular weight of 481.56 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 118482127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).