6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

C23H20ClN7O — CID 118482158

IUPAC6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESCOc1ncc(Cn2cc3c(NCc4ccc5c(N)nccc5c4)nccc3n2)cc1Cl
InChIInChI=1S/C23H20ClN7O/c1-32-23-19(24)9-15(11-29-23)12-31-13-18-20(30-31)5-7-27-22(18)28-10-14-2-3-17-16(8-14)4-6-26-21(17)25/h2-9,11,13H,10,12H2,1H3,(H2,25,26)(H,27,28)
InChIKeyBOTGZDCDHPDRQR-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.28
Rot. Bonds6

About 6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 118482158) has the molecular formula C23H20ClN7O and a molecular weight of 445.91 g/mol. Its IUPAC name is 6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
PubChem CID118482158
Molecular FormulaC23H20ClN7O
Molecular Weight445.91 g/mol
Exact Mass445.14
IUPAC Name6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESCOc1ncc(Cn2cc3c(NCc4ccc5c(N)nccc5c4)nccc3n2)cc1Cl
InChIInChI=1S/C23H20ClN7O/c1-32-23-19(24)9-15(11-29-23)12-31-13-18-20(30-31)5-7-27-22(18)28-10-14-2-3-17-16(8-14)4-6-26-21(17)25/h2-9,11,13H,10,12H2,1H3,(H2,25,26)(H,27,28)
InChIKeyBOTGZDCDHPDRQR-UHFFFAOYSA-N
XLogP4.28
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The IUPAC name of 6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (CID 118482158) is 6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is COc1ncc(Cn2cc3c(NCc4ccc5c(N)nccc5c4)nccc3n2)cc1Cl.
What is the InChIKey of 6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The InChIKey is BOTGZDCDHPDRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O/c1-32-23-19(24)9-15(11-29-23)12-31-13-18-20(30-31)5-7-27-22(18)28-10-14-2-3-17-16(8-14)4-6-26-21(17)25/h2-9,11,13H,10,12H2,1H3,(H2,25,26)(H,27,28).
What are the key properties of 6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine has a molecular weight of 445.91 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 118482158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).