(Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine

C21H25N9 — CID 88587277

IUPAC(Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine
SMILESC=C1[C@@H](CC)N(C(C)C)c2nc(-c3cn[nH]c3-c3ccccn3)ncc2N1/C=N\N
InChIInChI=1S/C21H25N9/c1-5-17-14(4)29(12-25-22)18-11-24-20(27-21(18)30(17)13(2)3)15-10-26-28-19(15)16-8-6-7-9-23-16/h6-13,17H,4-5,22H2,1-3H3,(H,26,28)/b25-12-/t17-/m1/s1
InChIKeyOGLQKMNXLHAWKX-VXHGTMSESA-N
MW403.49 g/mol
LogP3.16
Rot. Bonds5

About (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine

(Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine (PubChem CID 88587277) has the molecular formula C21H25N9 and a molecular weight of 403.49 g/mol. Its IUPAC name is (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine.

Molecular Properties

Compound Name(Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine
PubChem CID88587277
Molecular FormulaC21H25N9
Molecular Weight403.49 g/mol
Exact Mass403.22
IUPAC Name(Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine
SMILESC=C1[C@@H](CC)N(C(C)C)c2nc(-c3cn[nH]c3-c3ccccn3)ncc2N1/C=N\N
InChIInChI=1S/C21H25N9/c1-5-17-14(4)29(12-25-22)18-11-24-20(27-21(18)30(17)13(2)3)15-10-26-28-19(15)16-8-6-7-9-23-16/h6-13,17H,4-5,22H2,1-3H3,(H,26,28)/b25-12-/t17-/m1/s1
InChIKeyOGLQKMNXLHAWKX-VXHGTMSESA-N
XLogP3.16
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine 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

7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one
CID 67260275
[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
CID 70922068
N-methyl-1-(5-pyridin-2-yl-1H-pyrazol-4-yl)methanamine
CID 79485075
2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11522294
(4R)-4-ethyl-1-methyl-5-propan-2-yl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979431
1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid
CID 67369407
2-(5-pyridin-2-yl-1H-pyrazol-4-yl)acetic acid
CID 121213660
4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine
CID 10274522
4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine;hydrochloride
CID 10274521
5-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 10016289
(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one
CID 58405692
6-(5-pyridin-2-yl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine
CID 23537380

Frequently Asked Questions

What is the IUPAC name of (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine?
The IUPAC name of (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine (CID 88587277) is (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine.
What is the SMILES notation for (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine?
The canonical SMILES for (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine is C=C1[C@@H](CC)N(C(C)C)c2nc(-c3cn[nH]c3-c3ccccn3)ncc2N1/C=N\N.
What is the InChIKey of (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine?
The InChIKey is OGLQKMNXLHAWKX-VXHGTMSESA-N. The full InChI is InChI=1S/C21H25N9/c1-5-17-14(4)29(12-25-22)18-11-24-20(27-21(18)30(17)13(2)3)15-10-26-28-19(15)16-8-6-7-9-23-16/h6-13,17H,4-5,22H2,1-3H3,(H,26,28)/b25-12-/t17-/m1/s1.
What are the key properties of (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine?
(Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine has a molecular weight of 403.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(7R)-7-ethyl-6-methylidene-8-propan-2-yl-2-(5-pyridin-2-yl-1H-pyrazol-4-yl)-7H-pteridin-5-yl]methylidenehydrazine is sourced from PubChem (CID 88587277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).