acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

C21H19N7O2 — CID 159835532

IUPACacetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESCC(=O)O.Nc1nccc(Nc2cc(-c3ccc4[nH]ccc4c3)c3[nH]ncc3c2)n1
InChIInChI=1S/C19H15N7.C2H4O2/c20-19-22-6-4-17(25-19)24-14-8-13-10-23-26-18(13)15(9-14)11-1-2-16-12(7-11)3-5-21-16;1-2(3)4/h1-10,21H,(H,23,26)(H3,20,22,24,25);1H3,(H,3,4)
InChIKeyWFSOQUUGOZEAIE-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.92
Rot. Bonds3

About acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (PubChem CID 159835532) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Nameacetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
PubChem CID159835532
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Nameacetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESCC(=O)O.Nc1nccc(Nc2cc(-c3ccc4[nH]ccc4c3)c3[nH]ncc3c2)n1
InChIInChI=1S/C19H15N7.C2H4O2/c20-19-22-6-4-17(25-19)24-14-8-13-10-23-26-18(13)15(9-14)11-1-2-16-12(7-11)3-5-21-16;1-2(3)4/h1-10,21H,(H,23,26)(H3,20,22,24,25);1H3,(H,3,4)
InChIKeyWFSOQUUGOZEAIE-UHFFFAOYSA-N
XLogP3.92
TPSA145.60 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024147
acetic acid;4-N-[7-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 157327076
acetic acid;N-[3-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]phenyl]methanesulfonamide
CID 158792994
5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde
CID 57493629
4-N-(7-thiophen-3-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 46224700
4-N-[7-[1-(2-aminoethyl)indol-5-yl]-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024207
acetic acid;5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]pent-4-yn-1-ol
CID 157480992
4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 89329526
4-N-[7-[1-(3-aminopropyl)indol-6-yl]-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024413
acetic acid;4-N-[7-(4-methylphenyl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 157240750
N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
CID 88557543
4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024291

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (CID 159835532) is acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is CC(=O)O.Nc1nccc(Nc2cc(-c3ccc4[nH]ccc4c3)c3[nH]ncc3c2)n1.
What is the InChIKey of acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is WFSOQUUGOZEAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7.C2H4O2/c20-19-22-6-4-17(25-19)24-14-8-13-10-23-26-18(13)15(9-14)11-1-2-16-12(7-11)3-5-21-16;1-2(3)4/h1-10,21H,(H,23,26)(H3,20,22,24,25);1H3,(H,3,4).
What are the key properties of acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 401.43 g/mol, XLogP of 3.92, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-N-[7-(1H-indol-5-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159835532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).