N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide

C24H28N10O2 — CID 166647436

IUPACN'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide
SMILESCOc1c(Nc2cc(Nc3cccc(C4CC4)n3)nc3[nH]n(C)c(=O)c23)cccc1/C(N)=N/N(C)N
InChIInChI=1S/C24H28N10O2/c1-33-24(35)20-17(27-16-8-4-6-14(21(16)36-3)22(25)31-34(2)26)12-19(30-23(20)32-33)29-18-9-5-7-15(28-18)13-10-11-13/h4-9,12-13H,10-11,26H2,1-3H3,(H2,25,31)(H3,27,28,29,30,32)
InChIKeyKSMLNHBIHMJUAX-UHFFFAOYSA-N
MW488.56 g/mol
LogP2.46
Rot. Bonds8

About N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide

N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide (PubChem CID 166647436) has the molecular formula C24H28N10O2 and a molecular weight of 488.56 g/mol. Its IUPAC name is N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide
PubChem CID166647436
Molecular FormulaC24H28N10O2
Molecular Weight488.56 g/mol
Exact Mass488.24
IUPAC NameN'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide
SMILESCOc1c(Nc2cc(Nc3cccc(C4CC4)n3)nc3[nH]n(C)c(=O)c23)cccc1/C(N)=N/N(C)N
InChIInChI=1S/C24H28N10O2/c1-33-24(35)20-17(27-16-8-4-6-14(21(16)36-3)22(25)31-34(2)26)12-19(30-23(20)32-33)29-18-9-5-7-15(28-18)13-10-11-13/h4-9,12-13H,10-11,26H2,1-3H3,(H2,25,31)(H3,27,28,29,30,32)
InChIKeyKSMLNHBIHMJUAX-UHFFFAOYSA-N
XLogP2.46
TPSA164.50 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 52.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[amino(methyl)amino]-2-methoxy-3-[[2-methyl-6-[(1-methylpyrazol-3-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]benzenecarboximidamide
CID 166647458
6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-4-(2-methylsulfonylanilino)-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438980
4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438526
N-[4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438611
6-[[4-[3-(2,3-dimethyl-1H-tetrazol-5-yl)-2-methoxyanilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-2-carbonitrile
CID 166647439
4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438497
N'-[amino(methyl)amino]-3-[[5-[(6-cyano-5-propan-2-yl-2-pyridinyl)amino]-2-methyl-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzenecarboximidamide
CID 142334881
6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438529
N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438999
N'-[amino(methyl)amino]-3-[[5-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzenecarboximidamide
CID 142334996
2-methoxy-3-[[2-methyl-3-oxo-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]benzonitrile
CID 134438947
4-[2-methoxy-4-(methoxymethyl)anilino]-2-methyl-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438774

Frequently Asked Questions

What is the IUPAC name of N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide?
The IUPAC name of N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide (CID 166647436) is N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide?
The canonical SMILES for N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide is COc1c(Nc2cc(Nc3cccc(C4CC4)n3)nc3[nH]n(C)c(=O)c23)cccc1/C(N)=N/N(C)N.
What is the InChIKey of N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide?
The InChIKey is KSMLNHBIHMJUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N10O2/c1-33-24(35)20-17(27-16-8-4-6-14(21(16)36-3)22(25)31-34(2)26)12-19(30-23(20)32-33)29-18-9-5-7-15(28-18)13-10-11-13/h4-9,12-13H,10-11,26H2,1-3H3,(H2,25,31)(H3,27,28,29,30,32).
What are the key properties of N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide?
N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide has a molecular weight of 488.56 g/mol, XLogP of 2.46, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 166647436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).