N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine

C39H52N10O3 — CID 177348680

About N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine

N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine (PubChem CID 177348680) has the molecular formula C39H52N10O3 and a molecular weight of 708.91 g/mol. Its IUPAC name is N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine
• PubChem CID: 177348680
• Molecular Formula: C39H52N10O3
• Molecular Weight: 708.91 g/mol
• Exact Mass: 708.42
• IUPAC Name: N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine
• SMILES: CCC1c2c(cnn2C2CN(Cc3ccccc3C=O)C2)-c2cccc(NC(/C=C(\N)NC(=O)C3CC3)=C(/N)C(=O)NC3CC3)c2N1C.CN(C)C
• InChI: InChI=1S/C36H43N9O3.C3H9N/c1-3-30-34-27(16-39-45(34)25-18-44(19-25)17-22-7-4-5-8-23(22)20-46)26-9-6-10-28(33(26)43(30)2)41-29(32(38)36(48)40-24-13-14-24)15-31(37)42-35(47)21-11-12-21;1-4(2)3/h4-10,15-16,20-21,24-25,30,41H,3,11-14,17-19,37-38H2,1-2H3,(H,40,48)(H,42,47);1-3H3/b31-15+,32-29+
• InChIKey: WYTPADPSCYZQIC-MEDSLTOBSA-N
• XLogP: 3.69
• TPSA: 166.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.91
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine?

The IUPAC name of N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine (CID 177348680) is N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine.

What is the SMILES notation for N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine?

The canonical SMILES for N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine is CCC1c2c(cnn2C2CN(Cc3ccccc3C=O)C2)-c2cccc(NC(/C=C(\N)NC(=O)C3CC3)=C(/N)C(=O)NC3CC3)c2N1C.CN(C)C.

What is the InChIKey of N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine?

The InChIKey is WYTPADPSCYZQIC-MEDSLTOBSA-N. The full InChI is InChI=1S/C36H43N9O3.C3H9N/c1-3-30-34-27(16-39-45(34)25-18-44(19-25)17-22-7-4-5-8-23(22)20-46)26-9-6-10-28(33(26)43(30)2)41-29(32(38)36(48)40-24-13-14-24)15-31(37)42-35(47)21-11-12-21;1-4(2)3/h4-10,15-16,20-21,24-25,30,41H,3,11-14,17-19,37-38H2,1-2H3,(H,40,48)(H,42,47);1-3H3/b31-15+,32-29+;.

What are the key properties of N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine?

N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine has a molecular weight of 708.91 g/mol, XLogP of 3.69, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[4-ethyl-3-[1-[(2-formylphenyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide;N,N-dimethylmethanamine is sourced from PubChem (CID 177348680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).