3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H25F2N5O2S — CID 167224712

IUPAC3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5C[C@H]6CC[C@@H]5CN6)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H25F2N5O2S/c1-11-2-5-15-20(27)22(34-24(15)29-11)23(32)30-13-6-16-17(25)7-18(19(26)21(16)33-10-13)31-9-12-3-4-14(31)8-28-12/h2,5,7,12-14,28H,3-4,6,8-10,27H2,1H3,(H,30,32)/t12-,13-,14-/m1/s1
InChIKeyILQWTQVAYXKEFL-MGPQQGTHSA-N
MW485.56 g/mol
LogP3.14
Rot. Bonds3

About 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167224712) has the molecular formula C24H25F2N5O2S and a molecular weight of 485.56 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID167224712
Molecular FormulaC24H25F2N5O2S
Molecular Weight485.56 g/mol
Exact Mass485.17
IUPAC Name3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5C[C@H]6CC[C@@H]5CN6)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H25F2N5O2S/c1-11-2-5-15-20(27)22(34-24(15)29-11)23(32)30-13-6-16-17(25)7-18(19(26)21(16)33-10-13)31-9-12-3-4-14(31)8-28-12/h2,5,7,12-14,28H,3-4,6,8-10,27H2,1H3,(H,30,32)/t12-,13-,14-/m1/s1
InChIKeyILQWTQVAYXKEFL-MGPQQGTHSA-N
XLogP3.14
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167224712) is 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5C[C@H]6CC[C@@H]5CN6)cc(F)c4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ILQWTQVAYXKEFL-MGPQQGTHSA-N. The full InChI is InChI=1S/C24H25F2N5O2S/c1-11-2-5-15-20(27)22(34-24(15)29-11)23(32)30-13-6-16-17(25)7-18(19(26)21(16)33-10-13)31-9-12-3-4-14(31)8-28-12/h2,5,7,12-14,28H,3-4,6,8-10,27H2,1H3,(H,30,32)/t12-,13-,14-/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167224712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).