N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine

C29H25N9O — CID 137292880

About N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine

N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine (PubChem CID 137292880) has the molecular formula C29H25N9O and a molecular weight of 515.58 g/mol. Its IUPAC name is N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine.

Molecular Properties

• Compound Name: N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine
• PubChem CID: 137292880
• Molecular Formula: C29H25N9O
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.22
• IUPAC Name: N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine
• SMILES: C=N/C(C)=C\N(C)c1cncc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OCc6ccccc6)c5)cc34)nc12
• InChI: InChI=1S/C29H25N9O/c1-18(30-2)16-38(3)26-15-32-13-25-28(26)35-29(34-25)27-22-10-23(33-14-24(22)36-37-27)20-9-21(12-31-11-20)39-17-19-7-5-4-6-8-19/h4-16H,2,17H2,1,3H3,(H,34,35)(H,36,37)/b18-16-
• InChIKey: OJJJVCKJSNYTTE-VLGSPTGOSA-N
• XLogP: 5.54
• TPSA: 120.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
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-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine?

The IUPAC name of N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine (CID 137292880) is N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine.

What is the SMILES notation for N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine?

The canonical SMILES for N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine is C=N/C(C)=C\N(C)c1cncc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OCc6ccccc6)c5)cc34)nc12.

What is the InChIKey of N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine?

The InChIKey is OJJJVCKJSNYTTE-VLGSPTGOSA-N. The full InChI is InChI=1S/C29H25N9O/c1-18(30-2)16-38(3)26-15-32-13-25-28(26)35-29(34-25)27-22-10-23(33-14-24(22)36-37-27)20-9-21(12-31-11-20)39-17-19-7-5-4-6-8-19/h4-16H,2,17H2,1,3H3,(H,34,35)(H,36,37)/b18-16-.

What are the key properties of N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine?

N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine has a molecular weight of 515.58 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-amine is sourced from PubChem (CID 137292880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).