3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one

C77H89N29O7S — CID 159569128

IUPAC3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NCCCNc2ccc3c(=O)[nH][nH]c3c2)s1.O=C(CCNc1cc(C2CC2)[nH]n1)Nc1ccc2c(=O)[nH][nH]c2c1.O=C(CCNc1ccc2c(=O)[nH][nH]c2c1)Nc1cc(C2CC2)[nH]n1.O=c1[nH][nH]c2cc(NCCCNc3cc(C4CC4)[nH]n3)ccc12.O=c1[nH][nH]c2ccc(C3CCC(Nc4nccnn4)C3)cc12
InChIInChI=1S/2C16H18N6O2.C16H20N6O.C15H16N6O.C14H17N5OS/c23-15(5-6-17-14-8-12(19-21-14)9-1-2-9)18-10-3-4-11-13(7-10)20-22-16(11)24;23-15(18-14-8-12(19-21-14)9-1-2-9)5-6-17-10-3-4-11-13(7-10)20-22-16(11)24;23-16-12-5-4-11(8-14(12)20-22-16)17-6-1-7-18-15-9-13(19-21-15)10-2-3-10;22-14-12-8-10(2-4-13(12)19-20-14)9-1-3-11(7-9)18-15-16-5-6-17-21-15;1-9-8-17-14(21-9)16-6-2-5-15-10-3-4-11-12(7-10)18-19-13(11)20/h3-4,7-9H,1-2,5-6H2,(H,18,23)(H2,17,19,21)(H2,20,22,24);3-4,7-9,17H,1-2,5-6H2,(H2,20,22,24)(H2,18,19,21,23);4-5,8-10,17H,1-3,6-7H2,(H2,18,19,21)(H2,20,22,23);2,4-6,8-9,11H,1,3,7H2,(H,16,18,21)(H2,19,20,22);3-4,7-8,15H,2,5-6H2,1H3,(H,16,17)(H2,18,19,20)
InChIKeyMHOYKMLFAZFDMK-UHFFFAOYSA-N
MW1564.82 g/mol
LogP10.49
Rot. Bonds28

About 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one

3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one (PubChem CID 159569128) has the molecular formula C77H89N29O7S and a molecular weight of 1564.82 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one
PubChem CID159569128
Molecular FormulaC77H89N29O7S
Molecular Weight1564.82 g/mol
Exact Mass1563.72
IUPAC Name3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NCCCNc2ccc3c(=O)[nH][nH]c3c2)s1.O=C(CCNc1cc(C2CC2)[nH]n1)Nc1ccc2c(=O)[nH][nH]c2c1.O=C(CCNc1ccc2c(=O)[nH][nH]c2c1)Nc1cc(C2CC2)[nH]n1.O=c1[nH][nH]c2cc(NCCCNc3cc(C4CC4)[nH]n3)ccc12.O=c1[nH][nH]c2ccc(C3CCC(Nc4nccnn4)C3)cc12
InChIInChI=1S/2C16H18N6O2.C16H20N6O.C15H16N6O.C14H17N5OS/c23-15(5-6-17-14-8-12(19-21-14)9-1-2-9)18-10-3-4-11-13(7-10)20-22-16(11)24;23-15(18-14-8-12(19-21-14)9-1-2-9)5-6-17-10-3-4-11-13(7-10)20-22-16(11)24;23-16-12-5-4-11(8-14(12)20-22-16)17-6-1-7-18-15-9-13(19-21-15)10-2-3-10;22-14-12-8-10(2-4-13(12)19-20-14)9-1-3-11(7-9)18-15-16-5-6-17-21-15;1-9-8-17-14(21-9)16-6-2-5-15-10-3-4-11-12(7-10)18-19-13(11)20/h3-4,7-9H,1-2,5-6H2,(H,18,23)(H2,17,19,21)(H2,20,22,24);3-4,7-9,17H,1-2,5-6H2,(H2,20,22,24)(H2,18,19,21,23);4-5,8-10,17H,1-3,6-7H2,(H2,18,19,21)(H2,20,22,23);2,4-6,8-9,11H,1,3,7H2,(H,16,18,21)(H2,19,20,22);3-4,7-8,15H,2,5-6H2,1H3,(H,16,17)(H2,18,19,20)
InChIKeyMHOYKMLFAZFDMK-UHFFFAOYSA-N
XLogP10.49
TPSA523.26 Ų
H-Bond Donors22
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001564.82
LogP ≤ 510.49
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one (CID 159569128) is 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one is Cc1cnc(NCCCNc2ccc3c(=O)[nH][nH]c3c2)s1.O=C(CCNc1cc(C2CC2)[nH]n1)Nc1ccc2c(=O)[nH][nH]c2c1.O=C(CCNc1ccc2c(=O)[nH][nH]c2c1)Nc1cc(C2CC2)[nH]n1.O=c1[nH][nH]c2cc(NCCCNc3cc(C4CC4)[nH]n3)ccc12.O=c1[nH][nH]c2ccc(C3CCC(Nc4nccnn4)C3)cc12.
What is the InChIKey of 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one?
The InChIKey is MHOYKMLFAZFDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18N6O2.C16H20N6O.C15H16N6O.C14H17N5OS/c23-15(5-6-17-14-8-12(19-21-14)9-1-2-9)18-10-3-4-11-13(7-10)20-22-16(11)24;23-15(18-14-8-12(19-21-14)9-1-2-9)5-6-17-10-3-4-11-13(7-10)20-22-16(11)24;23-16-12-5-4-11(8-14(12)20-22-16)17-6-1-7-18-15-9-13(19-21-15)10-2-3-10;22-14-12-8-10(2-4-13(12)19-20-14)9-1-3-11(7-9)18-15-16-5-6-17-21-15;1-9-8-17-14(21-9)16-6-2-5-15-10-3-4-11-12(7-10)18-19-13(11)20/h3-4,7-9H,1-2,5-6H2,(H,18,23)(H2,17,19,21)(H2,20,22,24);3-4,7-9,17H,1-2,5-6H2,(H2,20,22,24)(H2,18,19,21,23);4-5,8-10,17H,1-3,6-7H2,(H2,18,19,21)(H2,20,22,23);2,4-6,8-9,11H,1,3,7H2,(H,16,18,21)(H2,19,20,22);3-4,7-8,15H,2,5-6H2,1H3,(H,16,17)(H2,18,19,20).
What are the key properties of 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one?
3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one has a molecular weight of 1564.82 g/mol, XLogP of 10.49, 28 rotatable bonds, 22 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propylamino]-1,2-dihydroindazol-3-one;5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159569128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).