(3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol

C20H17F2N3OS — CID 172542337

IUPAC(3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCc1cn2ccc(-c3ccc4cc(C(O)C5CC(F)(F)C5)sc4n3)cc2n1
InChIInChI=1S/C20H17F2N3OS/c1-11-10-25-5-4-12(7-17(25)23-11)15-3-2-13-6-16(27-19(13)24-15)18(26)14-8-20(21,22)9-14/h2-7,10,14,18,26H,8-9H2,1H3
InChIKeyCBNBVYBSGMDQRK-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.00
Rot. Bonds3

About (3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol

(3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol (PubChem CID 172542337) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol
PubChem CID172542337
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name(3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCc1cn2ccc(-c3ccc4cc(C(O)C5CC(F)(F)C5)sc4n3)cc2n1
InChIInChI=1S/C20H17F2N3OS/c1-11-10-25-5-4-12(7-17(25)23-11)15-3-2-13-6-16(27-19(13)24-15)18(26)14-8-20(21,22)9-14/h2-7,10,14,18,26H,8-9H2,1H3
InChIKeyCBNBVYBSGMDQRK-UHFFFAOYSA-N
XLogP5.00
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093438
(3-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093439
(4-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093440
US9670204, 150 (2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methanol
CID 117628574
US10738057, Example 20
CID 138561598
US10738057, Example 34
CID 138619380
US11225486, Example 70
CID 138619388
[2-[3-[5-(Hydroxymethyl)thiophen-2-yl]imidazo[1,5-a]pyridin-1-yl]phenyl]methanol
CID 134132602
[5-(1-Phenylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134142080
[5-(1-Pyridin-4-ylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134149171
[4-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155538840
[4-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155554723

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of (3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol (CID 172542337) is (3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for (3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol is Cc1cn2ccc(-c3ccc4cc(C(O)C5CC(F)(F)C5)sc4n3)cc2n1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The InChIKey is CBNBVYBSGMDQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3OS/c1-11-10-25-5-4-12(7-17(25)23-11)15-3-2-13-6-16(27-19(13)24-15)18(26)14-8-20(21,22)9-14/h2-7,10,14,18,26H,8-9H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol?
(3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol has a molecular weight of 385.44 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-7-yl)thieno[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 172542337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).