5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide

C95H98N24O16 — CID 160574208

About 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide

5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 160574208) has the molecular formula C95H98N24O16 and a molecular weight of 1831.98 g/mol. Its IUPAC name is 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 160574208
• Molecular Formula: C95H98N24O16
• Molecular Weight: 1831.98 g/mol
• Exact Mass: 1830.76
• IUPAC Name: 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CN(Cc1ccc2c(c1)C(C(N)=O)NN2c1cc(C#C[C@]2(O)CCN(C)C2=O)ccn1)C(=O)CCCN.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(N5CC[C@@H](O)C5)cc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(N5CC[C@H](O)C5)cc43)c2)C1=O.COc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1
• InChI: InChI=1S/C26H31N7O4.2C24H24N6O4.C21H19N5O4/c1-31-13-10-26(37,25(31)36)9-7-17-8-12-29-21(15-17)33-20-6-5-18(14-19(20)23(30-33)24(28)35)16-32(2)22(34)4-3-11-27;2*1-28-10-8-24(34,23(28)33)7-5-15-3-2-4-16(11-15)30-19-12-20(29-9-6-17(31)14-29)26-13-18(19)21(27-30)22(25)32;1-25-9-8-21(29,20(25)28)7-6-13-4-3-5-14(10-13)26-16-11-17(30-2)23-12-15(16)18(24-26)19(22)27/h5-6,8,12,14-15,23,30,37H,3-4,10-11,13,16,27H2,1-2H3,(H2,28,35);2*2-4,11-13,17,31,34H,6,8-10,14H2,1H3,(H2,25,32);3-5,10-12,29H,8-9H2,1-2H3,(H2,22,27)/t23?,26-;17-,24+;17-,24-;21-/m0100/s1
• InChIKey: RAXYRTBFTFRZHA-FZDFNIIXSA-N
• XLogP: 0.45
• TPSA: 557.31 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1831.98
LogP ≤ 5	0.45
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide (CID 160574208) is 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide is CN(Cc1ccc2c(c1)C(C(N)=O)NN2c1cc(C#C[C@]2(O)CCN(C)C2=O)ccn1)C(=O)CCCN.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(N5CC[C@@H](O)C5)cc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cnc(N5CC[C@H](O)C5)cc43)c2)C1=O.COc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.

What is the InChIKey of 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is RAXYRTBFTFRZHA-FZDFNIIXSA-N. The full InChI is InChI=1S/C26H31N7O4.2C24H24N6O4.C21H19N5O4/c1-31-13-10-26(37,25(31)36)9-7-17-8-12-29-21(15-17)33-20-6-5-18(14-19(20)23(30-33)24(28)35)16-32(2)22(34)4-3-11-27;2*1-28-10-8-24(34,23(28)33)7-5-15-3-2-4-16(11-15)30-19-12-20(29-9-6-17(31)14-29)26-13-18(19)21(27-30)22(25)32;1-25-9-8-21(29,20(25)28)7-6-13-4-3-5-14(10-13)26-16-11-17(30-2)23-12-15(16)18(24-26)19(22)27/h5-6,8,12,14-15,23,30,37H,3-4,10-11,13,16,27H2,1-2H3,(H2,28,35);2*2-4,11-13,17,31,34H,6,8-10,14H2,1H3,(H2,25,32);3-5,10-12,29H,8-9H2,1-2H3,(H2,22,27)/t23?,26-;17-,24+;17-,24-;21-/m0100/s1.

What are the key properties of 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide?

5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 1831.98 g/mol, XLogP of 0.45, 16 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-aminobutanoyl(methyl)amino]methyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-2,3-dihydroindazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 160574208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).