2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine

C24H29N7S — CID 142334953

About 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine

2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine (PubChem CID 142334953) has the molecular formula C24H29N7S and a molecular weight of 447.61 g/mol. Its IUPAC name is 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine.

Molecular Properties

• Compound Name: 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
• PubChem CID: 142334953
• Molecular Formula: C24H29N7S
• Molecular Weight: 447.61 g/mol
• Exact Mass: 447.22
• IUPAC Name: 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
• SMILES: C=S(C)N(C)c1cc(-c2cnn(C)c2)ccc1Nc1cc(C2CC2C)nc2nc(C)[nH]c12
• InChI: InChI=1S/C24H29N7S/c1-14-9-18(14)20-11-21(23-24(29-20)27-15(2)26-23)28-19-8-7-16(17-12-25-30(3)13-17)10-22(19)31(4)32(5)6/h7-8,10-14,18H,5,9H2,1-4,6H3,(H2,26,27,28,29)
• InChIKey: ZWWWDCSRURRLGF-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 74.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.61
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?

The IUPAC name of 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine (CID 142334953) is 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine.

What is the SMILES notation for 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?

The canonical SMILES for 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine is C=S(C)N(C)c1cc(-c2cnn(C)c2)ccc1Nc1cc(C2CC2C)nc2nc(C)[nH]c12.

What is the InChIKey of 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?

The InChIKey is ZWWWDCSRURRLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7S/c1-14-9-18(14)20-11-21(23-24(29-20)27-15(2)26-23)28-19-8-7-16(17-12-25-30(3)13-17)10-22(19)31(4)32(5)6/h7-8,10-14,18H,5,9H2,1-4,6H3,(H2,26,27,28,29).

What are the key properties of 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?

2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine has a molecular weight of 447.61 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-methyl-1-N-[2-methyl-5-(2-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-N-[methyl(methylidene)-λ4-sulfanyl]-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 142334953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).