2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide

C24H23N7O2S — CID 138682674

IUPAC2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)c3sc(C(=O)Nc4cccnc4)cc3n2)c1
InChIInChI=1S/C24H23N7O2S/c1-16-4-2-5-17(12-16)14-26-30-24-28-19-13-20(23(32)27-18-6-3-7-25-15-18)34-21(19)22(29-24)31-8-10-33-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,27,32)(H,28,29,30)/b26-14+
InChIKeyKAXJJKHCNGORST-VULFUBBASA-N
MW473.56 g/mol
LogP3.93
Rot. Bonds6

About 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide

2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 138682674) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID138682674
Molecular FormulaC24H23N7O2S
Molecular Weight473.56 g/mol
Exact Mass473.16
IUPAC Name2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)c3sc(C(=O)Nc4cccnc4)cc3n2)c1
InChIInChI=1S/C24H23N7O2S/c1-16-4-2-5-17(12-16)14-26-30-24-28-19-13-20(23(32)27-18-6-3-7-25-15-18)34-21(19)22(29-24)31-8-10-33-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,27,32)(H,28,29,30)/b26-14+
InChIKeyKAXJJKHCNGORST-VULFUBBASA-N
XLogP3.93
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(3-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 25109378
US10100058, Example 211
CID 134539877
US10100058, Example 225
CID 134540086
Fovinaciclib
CID 132136461
4-[[3-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 164610419
[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]-morpholino-methanone
CID 76310737
(3-(2-(2-Aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 46886410
N-[4-isopropyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)phenyl]-2-methyl-pyridine-3-carboxamide
CID 49870936
6-Morpholin-4-yl-2-phenyl-pyrimidine-4-carboxylic acid (2-thiazolo[5,4-b]pyridin-2-yl-phenyl)-amide
CID 58101566
6'-Amino-N-[2-(4-morpholinyl)-6-benzothiazolyl][2,3'-bipyridine]-6-carboxamide
CID 71506869
N1-(2-(1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl)ethyl)-N3-ethylisophthalamide
CID 71655060
3-N-[2-[4-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 71655061

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide (CID 138682674) is 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide is Cc1cccc(/C=N/Nc2nc(N3CCOCC3)c3sc(C(=O)Nc4cccnc4)cc3n2)c1.
What is the InChIKey of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is KAXJJKHCNGORST-VULFUBBASA-N. The full InChI is InChI=1S/C24H23N7O2S/c1-16-4-2-5-17(12-16)14-26-30-24-28-19-13-20(23(32)27-18-6-3-7-25-15-18)34-21(19)22(29-24)31-8-10-33-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,27,32)(H,28,29,30)/b26-14+.
What are the key properties of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide?
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-ylthieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 138682674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).