1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea

C23H27N5O2S — CID 167606831

IUPAC1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)NC1CCN(c2ccnc3ccsc23)CC1
InChIInChI=1S/C23H27N5O2S/c29-23(25-17-1-3-19(4-2-17)27-12-14-30-15-13-27)26-18-6-10-28(11-7-18)21-5-9-24-20-8-16-31-22(20)21/h1-5,8-9,16,18H,6-7,10-15H2,(H2,25,26,29)
InChIKeyOGIMNFZCOIIGCF-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.92
Rot. Bonds4

About 1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea

1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea (PubChem CID 167606831) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea
PubChem CID167606831
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)NC1CCN(c2ccnc3ccsc23)CC1
InChIInChI=1S/C23H27N5O2S/c29-23(25-17-1-3-19(4-2-17)27-12-14-30-15-13-27)26-18-6-10-28(11-7-18)21-5-9-24-20-8-16-31-22(20)21/h1-5,8-9,16,18H,6-7,10-15H2,(H2,25,26,29)
InChIKeyOGIMNFZCOIIGCF-UHFFFAOYSA-N
XLogP3.92
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea
CID 44525916
1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597446
1-(1-phenylpiperidin-4-yl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86830732
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597467
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
N,N-dimethyl-2-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)acetamide
CID 136522053
1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea
CID 112981733
1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea
CID 112984243
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-2-yl]phenyl]urea
CID 143633276
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea (CID 167606831) is 1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea is O=C(Nc1ccc(N2CCOCC2)cc1)NC1CCN(c2ccnc3ccsc23)CC1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea?
The InChIKey is OGIMNFZCOIIGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c29-23(25-17-1-3-19(4-2-17)27-12-14-30-15-13-27)26-18-6-10-28(11-7-18)21-5-9-24-20-8-16-31-22(20)21/h1-5,8-9,16,18H,6-7,10-15H2,(H2,25,26,29).
What are the key properties of 1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea?
1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea has a molecular weight of 437.57 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)urea is sourced from PubChem (CID 167606831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).