6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one

C21H17ClN6O — CID 58936281

IUPAC6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one
SMILESCc1cc(-c2cc3c(=O)[nH][nH]c3cc2Cl)nc(Nc2n[nH]c3ccccc23)c1C
InChIInChI=1S/C21H17ClN6O/c1-10-7-17(13-8-14-18(9-15(13)22)26-28-21(14)29)23-19(11(10)2)24-20-12-5-3-4-6-16(12)25-27-20/h3-9H,1-2H3,(H2,26,28,29)(H2,23,24,25,27)
InChIKeyYZIWYODTGHCMKQ-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.81
Rot. Bonds3

About 6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one

6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one (PubChem CID 58936281) has the molecular formula C21H17ClN6O and a molecular weight of 404.86 g/mol. Its IUPAC name is 6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one
PubChem CID58936281
Molecular FormulaC21H17ClN6O
Molecular Weight404.86 g/mol
Exact Mass404.12
IUPAC Name6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one
SMILESCc1cc(-c2cc3c(=O)[nH][nH]c3cc2Cl)nc(Nc2n[nH]c3ccccc23)c1C
InChIInChI=1S/C21H17ClN6O/c1-10-7-17(13-8-14-18(9-15(13)22)26-28-21(14)29)23-19(11(10)2)24-20-12-5-3-4-6-16(12)25-27-20/h3-9H,1-2H3,(H2,26,28,29)(H2,23,24,25,27)
InChIKeyYZIWYODTGHCMKQ-UHFFFAOYSA-N
XLogP4.81
TPSA102.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one (CID 58936281) is 6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one is Cc1cc(-c2cc3c(=O)[nH][nH]c3cc2Cl)nc(Nc2n[nH]c3ccccc23)c1C.
What is the InChIKey of 6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one?
The InChIKey is YZIWYODTGHCMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O/c1-10-7-17(13-8-14-18(9-15(13)22)26-28-21(14)29)23-19(11(10)2)24-20-12-5-3-4-6-16(12)25-27-20/h3-9H,1-2H3,(H2,26,28,29)(H2,23,24,25,27).
What are the key properties of 6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one?
6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one has a molecular weight of 404.86 g/mol, XLogP of 4.81, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).