N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine

C22H17N5 — CID 71033913

IUPACN-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine
SMILESc1ccc2c(Nc3ccc4cn[nH]c4c3)ncc(Cc3ccncc3)c2c1
InChIInChI=1S/C22H17N5/c1-2-4-20-19(3-1)17(11-15-7-9-23-10-8-15)13-24-22(20)26-18-6-5-16-14-25-27-21(16)12-18/h1-10,12-14H,11H2,(H,24,26)(H,25,27)
InChIKeyRXTGRDRWDNARAA-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.84
Rot. Bonds4

About N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine

N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine (PubChem CID 71033913) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine
PubChem CID71033913
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC NameN-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine
SMILESc1ccc2c(Nc3ccc4cn[nH]c4c3)ncc(Cc3ccncc3)c2c1
InChIInChI=1S/C22H17N5/c1-2-4-20-19(3-1)17(11-15-7-9-23-10-8-15)13-24-22(20)26-18-6-5-16-14-25-27-21(16)12-18/h1-10,12-14H,11H2,(H,24,26)(H,25,27)
InChIKeyRXTGRDRWDNARAA-UHFFFAOYSA-N
XLogP4.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine?
The IUPAC name of N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine (CID 71033913) is N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine?
The canonical SMILES for N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine is c1ccc2c(Nc3ccc4cn[nH]c4c3)ncc(Cc3ccncc3)c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine?
The InChIKey is RXTGRDRWDNARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-2-4-20-19(3-1)17(11-15-7-9-23-10-8-15)13-24-22(20)26-18-6-5-16-14-25-27-21(16)12-18/h1-10,12-14H,11H2,(H,24,26)(H,25,27).
What are the key properties of N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine?
N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine has a molecular weight of 351.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine is sourced from PubChem (CID 71033913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).