N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

C96H88N38O6 — CID 158380704

About N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 158380704) has the molecular formula C96H88N38O6 and a molecular weight of 1870.02 g/mol. Its IUPAC name is N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 158380704
• Molecular Formula: C96H88N38O6
• Molecular Weight: 1870.02 g/mol
• Exact Mass: 1868.77
• IUPAC Name: N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCN(CC)C(=O)c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N(C)C)c5)cc34)nc12.CCN(CC)C(=O)c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5ccc(CC(=O)CC)nc5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)CC)c5)cc34)nc12
• InChI: InChI=1S/C28H31N11O2.C25H26N10O2.C22H16N8O.C21H15N9O/c1-4-38(5-2)27(40)21-15-30-16-22-23(21)34-26(33-22)24-20-11-18(13-31-25(20)36-35-24)17-10-19(14-29-12-17)32-28(41)39-8-6-37(3)7-9-39;1-5-35(6-2)24(36)18-12-27-13-19-20(18)31-23(30-19)21-17-8-15(10-28-22(17)33-32-21)14-7-16(11-26-9-14)29-25(37)34(3)4;1-3-15(31)7-14-5-4-12(8-25-14)13-6-16-19(29-30-21(16)26-9-13)22-27-18-11-24-10-17(23-2)20(18)28-22;1-3-17(31)26-13-4-11(6-23-8-13)12-5-14-18(29-30-20(14)25-7-12)21-27-16-10-24-9-15(22-2)19(16)28-21/h10-16H,4-9H2,1-3H3,(H,32,41)(H,33,34)(H,31,35,36);7-13H,5-6H2,1-4H3,(H,29,37)(H,30,31)(H,28,32,33);4-6,8-11H,3,7H2,1H3,(H,27,28)(H,26,29,30);4-10H,3H2,1H3,(H,26,31)(H,27,28)(H,25,29,30)
• InChIKey: GVTCRNCTCAQZKO-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 547.55 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.02
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 158380704) is N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCN(CC)C(=O)c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N(C)C)c5)cc34)nc12.CCN(CC)C(=O)c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5ccc(CC(=O)CC)nc5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)CC)c5)cc34)nc12.

What is the InChIKey of N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The InChIKey is GVTCRNCTCAQZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N11O2.C25H26N10O2.C22H16N8O.C21H15N9O/c1-4-38(5-2)27(40)21-15-30-16-22-23(21)34-26(33-22)24-20-11-18(13-31-25(20)36-35-24)17-10-19(14-29-12-17)32-28(41)39-8-6-37(3)7-9-39;1-5-35(6-2)24(36)18-12-27-13-19-20(18)31-23(30-19)21-17-8-15(10-28-22(17)33-32-21)14-7-16(11-26-9-14)29-25(37)34(3)4;1-3-15(31)7-14-5-4-12(8-25-14)13-6-16-19(29-30-21(16)26-9-13)22-27-18-11-24-10-17(23-2)20(18)28-22;1-3-17(31)26-13-4-11(6-23-8-13)12-5-14-18(29-30-20(14)25-7-12)21-27-16-10-24-9-15(22-2)19(16)28-21/h10-16H,4-9H2,1-3H3,(H,32,41)(H,33,34)(H,31,35,36);7-13H,5-6H2,1-4H3,(H,29,37)(H,30,31)(H,28,32,33);4-6,8-11H,3,7H2,1H3,(H,27,28)(H,26,29,30);4-10H,3H2,1H3,(H,26,31)(H,27,28)(H,25,29,30).

What are the key properties of N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 1870.02 g/mol, XLogP of 14.64, 21 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-3H-imidazo[4,5-c]pyridine-7-carboxamide;1-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 158380704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).