1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane

C20H18ClN5 — CID 145441123

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane
SMILESCC.Cc1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(C#N)c12
InChIInChI=1S/C18H12ClN5.C2H6/c1-11-18-16(8-20)21-5-4-17(18)24(23-11)10-12-2-3-15-13(6-12)7-14(19)9-22-15;1-2/h2-7,9H,10H2,1H3;1-2H3
InChIKeyNVNHGBXRMQSPGW-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.89
Rot. Bonds2

About 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane

1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane (PubChem CID 145441123) has the molecular formula C20H18ClN5 and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane
PubChem CID145441123
Molecular FormulaC20H18ClN5
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane
SMILESCC.Cc1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(C#N)c12
InChIInChI=1S/C18H12ClN5.C2H6/c1-11-18-16(8-20)21-5-4-17(18)24(23-11)10-12-2-3-15-13(6-12)7-14(19)9-22-15;1-2/h2-7,9H,10H2,1H3;1-2H3
InChIKeyNVNHGBXRMQSPGW-UHFFFAOYSA-N
XLogP4.89
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane (CID 145441123) is 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane is CC.Cc1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(C#N)c12.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane?
The InChIKey is NVNHGBXRMQSPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5.C2H6/c1-11-18-16(8-20)21-5-4-17(18)24(23-11)10-12-2-3-15-13(6-12)7-14(19)9-22-15;1-2/h2-7,9H,10H2,1H3;1-2H3.
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane?
1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane has a molecular weight of 363.85 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazolo[4,5-c]pyridine-4-carbonitrile;ethane is sourced from PubChem (CID 145441123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).