3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine

C16H18N8OS — CID 155585687

IUPAC3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine
SMILES[H]/N=C/c1c(-c2nncs2)cc(N2CCOC[C@H]2C)nc1Nc1ccn[nH]1
InChIInChI=1S/C16H18N8OS/c1-10-8-25-5-4-24(10)14-6-11(16-23-19-9-26-16)12(7-17)15(21-14)20-13-2-3-18-22-13/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H2,18,20,21,22)/b17-7+/t10-/m1/s1
InChIKeyOJLGDYXSKGIKEL-LZUJDIRXSA-N
MW370.44 g/mol
LogP2.29
Rot. Bonds5

About 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine

3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine (PubChem CID 155585687) has the molecular formula C16H18N8OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine
PubChem CID155585687
Molecular FormulaC16H18N8OS
Molecular Weight370.44 g/mol
Exact Mass370.13
IUPAC Name3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine
SMILES[H]/N=C/c1c(-c2nncs2)cc(N2CCOC[C@H]2C)nc1Nc1ccn[nH]1
InChIInChI=1S/C16H18N8OS/c1-10-8-25-5-4-24(10)14-6-11(16-23-19-9-26-16)12(7-17)15(21-14)20-13-2-3-18-22-13/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H2,18,20,21,22)/b17-7+/t10-/m1/s1
InChIKeyOJLGDYXSKGIKEL-LZUJDIRXSA-N
XLogP2.29
TPSA115.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine 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

methanethiol;2-[3-methanimidoyl-6-(3-methylmorpholin-4-yl)-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile
CID 165400505
3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-4-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 176647633
2-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]-2-methylpropanenitrile
CID 155585674
4-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-5-methylpyrrolidin-2-one
CID 176647550
N-[3-fluoro-4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]propanamide
CID 176647786
methane;3-methanimidoyl-6-(3-methylmorpholin-4-yl)-4-[(5S)-8-oxabicyclo[3.2.1]octan-3-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166149944
1-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]indole-2,3-dione
CID 176647740
4-[3-(dimethylamino)prop-1-ynyl]-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 176647369
1,1-difluoropropane;4-[3-methanimidoyl-6-(3-methylmorpholin-4-yl)-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]heptan-4-ol
CID 166527556
3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-4-[3-methyl-1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 176647524
3-amino-N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]cyclobutane-1-carboxamide
CID 176647447
N-[4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]phenyl]-2-methylpyrrolidine-1-carboxamide
CID 176647806

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine (CID 155585687) is 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine is [H]/N=C/c1c(-c2nncs2)cc(N2CCOC[C@H]2C)nc1Nc1ccn[nH]1.
What is the InChIKey of 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine?
The InChIKey is OJLGDYXSKGIKEL-LZUJDIRXSA-N. The full InChI is InChI=1S/C16H18N8OS/c1-10-8-25-5-4-24(10)14-6-11(16-23-19-9-26-16)12(7-17)15(21-14)20-13-2-3-18-22-13/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H2,18,20,21,22)/b17-7+/t10-/m1/s1.
What are the key properties of 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine?
3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine has a molecular weight of 370.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 155585687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).