5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine

C22H23N7 — CID 171362732

IUPAC5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine
SMILESCn1ncc2c1CCN(c1ccc(CNc3cccc4c(N)nccc34)cn1)C2
InChIInChI=1S/C22H23N7/c1-28-20-8-10-29(14-16(20)13-27-28)21-6-5-15(12-26-21)11-25-19-4-2-3-18-17(19)7-9-24-22(18)23/h2-7,9,12-13,25H,8,10-11,14H2,1H3,(H2,23,24)
InChIKeyXZQLWSAQKCFLPX-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.12
Rot. Bonds4

About 5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine

5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine (PubChem CID 171362732) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine.

Molecular Properties

Compound Name5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine
PubChem CID171362732
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine
SMILESCn1ncc2c1CCN(c1ccc(CNc3cccc4c(N)nccc34)cn1)C2
InChIInChI=1S/C22H23N7/c1-28-20-8-10-29(14-16(20)13-27-28)21-6-5-15(12-26-21)11-25-19-4-2-3-18-17(19)7-9-24-22(18)23/h2-7,9,12-13,25H,8,10-11,14H2,1H3,(H2,23,24)
InChIKeyXZQLWSAQKCFLPX-UHFFFAOYSA-N
XLogP3.12
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine?
The IUPAC name of 5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine (CID 171362732) is 5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine.
What is the SMILES notation for 5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine?
The canonical SMILES for 5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine is Cn1ncc2c1CCN(c1ccc(CNc3cccc4c(N)nccc34)cn1)C2.
What is the InChIKey of 5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine?
The InChIKey is XZQLWSAQKCFLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-28-20-8-10-29(14-16(20)13-27-28)21-6-5-15(12-26-21)11-25-19-4-2-3-18-17(19)7-9-24-22(18)23/h2-7,9,12-13,25H,8,10-11,14H2,1H3,(H2,23,24).
What are the key properties of 5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine?
5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine has a molecular weight of 385.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine is sourced from PubChem (CID 171362732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).