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

C18H21N5O — CID 58936101

IUPAC6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(NC3CCCC(Nc4ccccn4)C3)ccc12
InChIInChI=1S/C18H21N5O/c24-18-15-8-7-14(11-16(15)22-23-18)20-12-4-3-5-13(10-12)21-17-6-1-2-9-19-17/h1-2,6-9,11-13,20H,3-5,10H2,(H,19,21)(H2,22,23,24)
InChIKeyKGLWOYAFDJYUNN-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.09
Rot. Bonds4

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

6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one (PubChem CID 58936101) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one
PubChem CID58936101
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(NC3CCCC(Nc4ccccn4)C3)ccc12
InChIInChI=1S/C18H21N5O/c24-18-15-8-7-14(11-16(15)22-23-18)20-12-4-3-5-13(10-12)21-17-6-1-2-9-19-17/h1-2,6-9,11-13,20H,3-5,10H2,(H,19,21)(H2,22,23,24)
InChIKeyKGLWOYAFDJYUNN-UHFFFAOYSA-N
XLogP3.09
TPSA85.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one
CID 58936050
3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]-N-pyridin-2-ylpropanamide
CID 58935827
6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one
CID 159431324
N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium
CID 160520836
N-cyclohexylpyridin-2-amine;methanamine
CID 143850003
4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide
CID 58935896
3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide
CID 58936040
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505
6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one
CID 58936061
N-(3-fluorocyclopentyl)pyridin-2-amine
CID 126993545
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
N-(thian-4-yl)pyridin-2-amine
CID 68572241

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one (CID 58936101) is 6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(NC3CCCC(Nc4ccccn4)C3)ccc12.
What is the InChIKey of 6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is KGLWOYAFDJYUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-18-15-8-7-14(11-16(15)22-23-18)20-12-4-3-5-13(10-12)21-17-6-1-2-9-19-17/h1-2,6-9,11-13,20H,3-5,10H2,(H,19,21)(H2,22,23,24).
What are the key properties of 6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one?
6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 323.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).