6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one

C87H105N27O7S — CID 158975664

IUPAC6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC2COc2ccc3c(=O)[nH][nH]c3c2)s1.Cn1cnc(NC2CCCC2CNc2ccc3c(=O)[nH][nH]c3c2)c1.O=c1[nH][nH]c2cc(NCC3CCCC3Nc3ccccn3)ccc12.O=c1[nH][nH]c2cc(NCC3CCCC3Nc3nccnn3)ccc12.O=c1[nH][nH]c2cc(OCC3CCCC3Nc3cc(C4CC4)[nH]n3)ccc12
InChIInChI=1S/C19H23N5O2.C18H21N5O.C17H22N6O.C17H20N4O2S.C16H19N7O/c25-19-14-7-6-13(8-17(14)22-24-19)26-10-12-2-1-3-15(12)20-18-9-16(21-23-18)11-4-5-11;24-18-14-8-7-13(10-16(14)22-23-18)20-11-12-4-3-5-15(12)21-17-6-1-2-9-19-17;1-23-9-16(19-10-23)20-14-4-2-3-11(14)8-18-12-5-6-13-15(7-12)21-22-17(13)24;1-10-8-18-17(24-10)19-14-4-2-3-11(14)9-23-12-5-6-13-15(7-12)20-21-16(13)22;24-15-12-5-4-11(8-14(12)21-22-15)18-9-10-2-1-3-13(10)20-16-17-6-7-19-23-16/h6-9,11-12,15H,1-5,10H2,(H2,20,21,23)(H2,22,24,25);1-2,6-10,12,15,20H,3-5,11H2,(H,19,21)(H2,22,23,24);5-7,9-11,14,18,20H,2-4,8H2,1H3,(H2,21,22,24);5-8,11,14H,2-4,9H2,1H3,(H,18,19)(H2,20,21,22);4-8,10,13,18H,1-3,9H2,(H,17,20,23)(H2,21,22,24)
InChIKeyJOJAUVKWPRLRFT-UHFFFAOYSA-N
MW1673.05 g/mol
LogP13.36
Rot. Bonds26

About 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one

6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one (PubChem CID 158975664) has the molecular formula C87H105N27O7S and a molecular weight of 1673.05 g/mol. Its IUPAC name is 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one
PubChem CID158975664
Molecular FormulaC87H105N27O7S
Molecular Weight1673.05 g/mol
Exact Mass1671.84
IUPAC Name6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC2COc2ccc3c(=O)[nH][nH]c3c2)s1.Cn1cnc(NC2CCCC2CNc2ccc3c(=O)[nH][nH]c3c2)c1.O=c1[nH][nH]c2cc(NCC3CCCC3Nc3ccccn3)ccc12.O=c1[nH][nH]c2cc(NCC3CCCC3Nc3nccnn3)ccc12.O=c1[nH][nH]c2cc(OCC3CCCC3Nc3cc(C4CC4)[nH]n3)ccc12
InChIInChI=1S/C19H23N5O2.C18H21N5O.C17H22N6O.C17H20N4O2S.C16H19N7O/c25-19-14-7-6-13(8-17(14)22-24-19)26-10-12-2-1-3-15(12)20-18-9-16(21-23-18)11-4-5-11;24-18-14-8-7-13(10-16(14)22-23-18)20-11-12-4-3-5-15(12)21-17-6-1-2-9-19-17;1-23-9-16(19-10-23)20-14-4-2-3-11(14)8-18-12-5-6-13-15(7-12)21-22-17(13)24;1-10-8-18-17(24-10)19-14-4-2-3-11(14)9-23-12-5-6-13-15(7-12)20-21-16(13)22;24-15-12-5-4-11(8-14(12)21-22-15)18-9-10-2-1-3-13(10)20-16-17-6-7-19-23-16/h6-9,11-12,15H,1-5,10H2,(H2,20,21,23)(H2,22,24,25);1-2,6-10,12,15,20H,3-5,11H2,(H,19,21)(H2,22,23,24);5-7,9-11,14,18,20H,2-4,8H2,1H3,(H2,21,22,24);5-8,11,14H,2-4,9H2,1H3,(H,18,19)(H2,20,21,22);4-8,10,13,18H,1-3,9H2,(H,17,20,23)(H2,21,22,24)
InChIKeyJOJAUVKWPRLRFT-UHFFFAOYSA-N
XLogP13.36
TPSA468.90 Ų
H-Bond Donors19
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001673.05
LogP ≤ 513.36
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1024

Analyze 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one (CID 158975664) is 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCCC2COc2ccc3c(=O)[nH][nH]c3c2)s1.Cn1cnc(NC2CCCC2CNc2ccc3c(=O)[nH][nH]c3c2)c1.O=c1[nH][nH]c2cc(NCC3CCCC3Nc3ccccn3)ccc12.O=c1[nH][nH]c2cc(NCC3CCCC3Nc3nccnn3)ccc12.O=c1[nH][nH]c2cc(OCC3CCCC3Nc3cc(C4CC4)[nH]n3)ccc12.
What is the InChIKey of 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one?
The InChIKey is JOJAUVKWPRLRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.C18H21N5O.C17H22N6O.C17H20N4O2S.C16H19N7O/c25-19-14-7-6-13(8-17(14)22-24-19)26-10-12-2-1-3-15(12)20-18-9-16(21-23-18)11-4-5-11;24-18-14-8-7-13(10-16(14)22-23-18)20-11-12-4-3-5-15(12)21-17-6-1-2-9-19-17;1-23-9-16(19-10-23)20-14-4-2-3-11(14)8-18-12-5-6-13-15(7-12)21-22-17(13)24;1-10-8-18-17(24-10)19-14-4-2-3-11(14)9-23-12-5-6-13-15(7-12)20-21-16(13)22;24-15-12-5-4-11(8-14(12)21-22-15)18-9-10-2-1-3-13(10)20-16-17-6-7-19-23-16/h6-9,11-12,15H,1-5,10H2,(H2,20,21,23)(H2,22,24,25);1-2,6-10,12,15,20H,3-5,11H2,(H,19,21)(H2,22,23,24);5-7,9-11,14,18,20H,2-4,8H2,1H3,(H2,21,22,24);5-8,11,14H,2-4,9H2,1H3,(H,18,19)(H2,20,21,22);4-8,10,13,18H,1-3,9H2,(H,17,20,23)(H2,21,22,24).
What are the key properties of 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one?
6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one has a molecular weight of 1673.05 g/mol, XLogP of 13.36, 26 rotatable bonds, 19 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one;6-[[2-(pyridin-2-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one;6-[[2-(1,2,4-triazin-3-ylamino)cyclopentyl]methylamino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158975664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).