N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide

C18H15N7 — CID 137281325

IUPACN-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide
SMILESC=N/C=N/C=C(\C)c1cc2c(-c3cc4ccncc4[nH]3)n[nH]c2cn1
InChIInChI=1S/C18H15N7/c1-11(7-21-10-19-2)14-6-13-17(9-22-14)24-25-18(13)15-5-12-3-4-20-8-16(12)23-15/h3-10,23H,2H2,1H3,(H,24,25)/b11-7+,21-10+
InChIKeyRNGKFQDPOXDPRN-KXOILSGTSA-N
MW329.37 g/mol
LogP3.59
Rot. Bonds4

About N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide

N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide (PubChem CID 137281325) has the molecular formula C18H15N7 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide
PubChem CID137281325
Molecular FormulaC18H15N7
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide
SMILESC=N/C=N/C=C(\C)c1cc2c(-c3cc4ccncc4[nH]3)n[nH]c2cn1
InChIInChI=1S/C18H15N7/c1-11(7-21-10-19-2)14-6-13-17(9-22-14)24-25-18(13)15-5-12-3-4-20-8-16(12)23-15/h3-10,23H,2H2,1H3,(H,24,25)/b11-7+,21-10+
InChIKeyRNGKFQDPOXDPRN-KXOILSGTSA-N
XLogP3.59
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-methylidene-N'-[(E)-2-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide
CID 137281336
N-methylidene-N'-[(E)-2-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide
CID 137232592
N-[(1E,3E)-4-methyl-5-piperidin-1-yl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]penta-1,3-dienyl]methanimine
CID 137033432
N-methylidene-N'-[(E)-2-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide
CID 137230393
1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine
CID 145246163
N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137116253
N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide
CID 137232603
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252682
2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine
CID 145254313
N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137116508
N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide
CID 137255120
3,3-dimethyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137110834

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide?
The IUPAC name of N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide (CID 137281325) is N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide.
What is the SMILES notation for N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide?
The canonical SMILES for N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide is C=N/C=N/C=C(\C)c1cc2c(-c3cc4ccncc4[nH]3)n[nH]c2cn1.
What is the InChIKey of N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide?
The InChIKey is RNGKFQDPOXDPRN-KXOILSGTSA-N. The full InChI is InChI=1S/C18H15N7/c1-11(7-21-10-19-2)14-6-13-17(9-22-14)24-25-18(13)15-5-12-3-4-20-8-16(12)23-15/h3-10,23H,2H2,1H3,(H,24,25)/b11-7+,21-10+.
What are the key properties of N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide?
N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide has a molecular weight of 329.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide is sourced from PubChem (CID 137281325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).