6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one

C23H17N7O — CID 58936053

IUPAC6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Nc3cc(Nc4n[nH]c5ccccc45)c4ccccc4n3)ccc12
InChIInChI=1S/C23H17N7O/c31-23-16-10-9-13(11-20(16)28-30-23)24-21-12-19(14-5-1-3-7-17(14)25-21)26-22-15-6-2-4-8-18(15)27-29-22/h1-12H,(H2,28,30,31)(H3,24,25,26,27,29)
InChIKeyIJTCEBLBCOLOCL-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.77
Rot. Bonds4

About 6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one

6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 58936053) has the molecular formula C23H17N7O and a molecular weight of 407.44 g/mol. Its IUPAC name is 6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID58936053
Molecular FormulaC23H17N7O
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Nc3cc(Nc4n[nH]c5ccccc45)c4ccccc4n3)ccc12
InChIInChI=1S/C23H17N7O/c31-23-16-10-9-13(11-20(16)28-30-23)24-21-12-19(14-5-1-3-7-17(14)25-21)26-22-15-6-2-4-8-18(15)27-29-22/h1-12H,(H2,28,30,31)(H3,24,25,26,27,29)
InChIKeyIJTCEBLBCOLOCL-UHFFFAOYSA-N
XLogP4.77
TPSA114.28 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 58936053) is 6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Nc3cc(Nc4n[nH]c5ccccc45)c4ccccc4n3)ccc12.
What is the InChIKey of 6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is IJTCEBLBCOLOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O/c31-23-16-10-9-13(11-20(16)28-30-23)24-21-12-19(14-5-1-3-7-17(14)25-21)26-22-15-6-2-4-8-18(15)27-29-22/h1-12H,(H2,28,30,31)(H3,24,25,26,27,29).
What are the key properties of 6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one?
6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 407.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).