6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one

C21H24N4O — CID 58936050

IUPAC6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(C3(C4CCCC(Nc5ccccn5)C4)CC3)ccc12
InChIInChI=1S/C21H24N4O/c26-20-17-8-7-15(13-18(17)24-25-20)21(9-10-21)14-4-3-5-16(12-14)23-19-6-1-2-11-22-19/h1-2,6-8,11,13-14,16H,3-5,9-10,12H2,(H,22,23)(H2,24,25,26)
InChIKeyZKBUXXCLYXTJRW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.95
Rot. Bonds4

About 6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one

6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one (PubChem CID 58936050) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one
PubChem CID58936050
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(C3(C4CCCC(Nc5ccccn5)C4)CC3)ccc12
InChIInChI=1S/C21H24N4O/c26-20-17-8-7-15(13-18(17)24-25-20)21(9-10-21)14-4-3-5-16(12-14)23-19-6-1-2-11-22-19/h1-2,6-8,11,13-14,16H,3-5,9-10,12H2,(H,22,23)(H2,24,25,26)
InChIKeyZKBUXXCLYXTJRW-UHFFFAOYSA-N
XLogP3.95
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one (CID 58936050) is 6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(C3(C4CCCC(Nc5ccccn5)C4)CC3)ccc12.
What is the InChIKey of 6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one?
The InChIKey is ZKBUXXCLYXTJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-20-17-8-7-15(13-18(17)24-25-20)21(9-10-21)14-4-3-5-16(12-14)23-19-6-1-2-11-22-19/h1-2,6-8,11,13-14,16H,3-5,9-10,12H2,(H,22,23)(H2,24,25,26).
What are the key properties of 6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one?
6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one has a molecular weight of 348.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).