N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C27H26N10O — CID 137281502

About N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 137281502) has the molecular formula C27H26N10O and a molecular weight of 506.57 g/mol. Its IUPAC name is N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 137281502
• Molecular Formula: C27H26N10O
• Molecular Weight: 506.57 g/mol
• Exact Mass: 506.23
• IUPAC Name: N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• SMILES: C=N/C(C)=C\N(C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(NC(=O)C6CCC6)c5)nc34)nc12
• InChI: InChI=1S/C27H26N10O/c1-15(28-2)14-37(3)26-23-20(9-10-30-26)33-25(34-23)24-22-21(35-36-24)8-7-19(32-22)17-11-18(13-29-12-17)31-27(38)16-5-4-6-16/h7-14,16H,2,4-6H2,1,3H3,(H,31,38)(H,33,34)(H,35,36)/b15-14-
• InChIKey: NGFRORYBBHUHDM-PFONDFGASA-N
• XLogP: 4.69
• TPSA: 140.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.57
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The IUPAC name of N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 137281502) is N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

What is the SMILES notation for N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The canonical SMILES for N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is C=N/C(C)=C\N(C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(NC(=O)C6CCC6)c5)nc34)nc12.

What is the InChIKey of N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The InChIKey is NGFRORYBBHUHDM-PFONDFGASA-N. The full InChI is InChI=1S/C27H26N10O/c1-15(28-2)14-37(3)26-23-20(9-10-30-26)33-25(34-23)24-22-21(35-36-24)8-7-19(32-22)17-11-18(13-29-12-17)31-27(38)16-5-4-6-16/h7-14,16H,2,4-6H2,1,3H3,(H,31,38)(H,33,34)(H,35,36)/b15-14-.

What are the key properties of N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 506.57 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137281502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).