5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine

C21H21N5O — CID 172571033

IUPAC5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine
SMILESCCCOc1ccc(Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1
InChIInChI=1S/C21H21N5O/c1-2-11-27-17-6-4-16(5-7-17)24-20-13-15(9-10-23-20)14-3-8-19-18(12-14)21(22)26-25-19/h3-10,12-13H,2,11H2,1H3,(H,23,24)(H3,22,25,26)
InChIKeyOMPHHJGWVIFLTO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.74
Rot. Bonds6

About 5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine

5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 172571033) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine
PubChem CID172571033
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine
SMILESCCCOc1ccc(Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1
InChIInChI=1S/C21H21N5O/c1-2-11-27-17-6-4-16(5-7-17)24-20-13-15(9-10-23-20)14-3-8-19-18(12-14)21(22)26-25-19/h3-10,12-13H,2,11H2,1H3,(H,23,24)(H3,22,25,26)
InChIKeyOMPHHJGWVIFLTO-UHFFFAOYSA-N
XLogP4.74
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(propan-2-ylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 170352224
3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide
CID 172571056
5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571090
5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571058
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane
CID 143156346
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
CID 11558446
5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine
CID 172570883
5-[2-(2-pyridin-2-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571136
5-ethoxy-1H-indazol-3-amine
CID 21409200
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine
CID 58588585
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of 5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine (CID 172571033) is 5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for 5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine is CCCOc1ccc(Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)cc1.
What is the InChIKey of 5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine?
The InChIKey is OMPHHJGWVIFLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-2-11-27-17-6-4-16(5-7-17)24-20-13-15(9-10-23-20)14-3-8-19-18(12-14)21(22)26-25-19/h3-10,12-13H,2,11H2,1H3,(H,23,24)(H3,22,25,26).
What are the key properties of 5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine?
5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine has a molecular weight of 359.43 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 172571033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).