5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine

C23H18ClN7O — CID 58540645

IUPAC5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine
SMILESClc1cccnc1-c1cc(OCCc2ccccn2)c2[nH]nc(Nc3cnccn3)c2c1
InChIInChI=1S/C23H18ClN7O/c24-18-5-3-8-28-21(18)15-12-17-22(30-31-23(17)29-20-14-25-9-10-27-20)19(13-15)32-11-6-16-4-1-2-7-26-16/h1-5,7-10,12-14H,6,11H2,(H2,27,29,30,31)
InChIKeyROUWETZUIYHARJ-UHFFFAOYSA-N
MW443.90 g/mol
LogP4.83
Rot. Bonds7

About 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine

5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine (PubChem CID 58540645) has the molecular formula C23H18ClN7O and a molecular weight of 443.90 g/mol. Its IUPAC name is 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine
PubChem CID58540645
Molecular FormulaC23H18ClN7O
Molecular Weight443.90 g/mol
Exact Mass443.13
IUPAC Name5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine
SMILESClc1cccnc1-c1cc(OCCc2ccccn2)c2[nH]nc(Nc3cnccn3)c2c1
InChIInChI=1S/C23H18ClN7O/c24-18-5-3-8-28-21(18)15-12-17-22(30-31-23(17)29-20-14-25-9-10-27-20)19(13-15)32-11-6-16-4-1-2-7-26-16/h1-5,7-10,12-14H,6,11H2,(H2,27,29,30,31)
InChIKeyROUWETZUIYHARJ-UHFFFAOYSA-N
XLogP4.83
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole
CID 155546912
2-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-8-[(3R)-3-fluoropiperidin-4-yl]oxyquinoline
CID 58303699
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1H-indazole
CID 167155970
1-[4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 167155978
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]-1H-indazole
CID 170647431
[4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 171408692
4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperazine-1-carboxamide
CID 171408774
methyl 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 171408795
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole
CID 176395265
[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296340
4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 177378331
8-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decane
CID 169101642

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine?
The IUPAC name of 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine (CID 58540645) is 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine is Clc1cccnc1-c1cc(OCCc2ccccn2)c2[nH]nc(Nc3cnccn3)c2c1.
What is the InChIKey of 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine?
The InChIKey is ROUWETZUIYHARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O/c24-18-5-3-8-28-21(18)15-12-17-22(30-31-23(17)29-20-14-25-9-10-27-20)19(13-15)32-11-6-16-4-1-2-7-26-16/h1-5,7-10,12-14H,6,11H2,(H2,27,29,30,31).
What are the key properties of 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine?
5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine has a molecular weight of 443.90 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine is sourced from PubChem (CID 58540645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).