3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C25H27F2N5O2S — CID 137480850

IUPAC3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1
InChIInChI=1S/C25H27F2N5O2S/c1-13-2-5-19-21(28)22(35-24(19)30-13)23(33)31-17-6-14-3-4-18(7-20(14)34-12-17)32-10-15-8-29-9-16(11-32)25(15,26)27/h2-5,7,15-17,29H,6,8-12,28H2,1H3,(H,31,33)/t15?,16?,17-/m1/s1
InChIKeyGCSFOFZGBWIJKA-OFLPRAFFSA-N
MW499.59 g/mol
LogP3.21
Rot. Bonds3

About 3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137480850) has the molecular formula C25H27F2N5O2S and a molecular weight of 499.59 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137480850
Molecular FormulaC25H27F2N5O2S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC Name3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1
InChIInChI=1S/C25H27F2N5O2S/c1-13-2-5-19-21(28)22(35-24(19)30-13)23(33)31-17-6-14-3-4-18(7-20(14)34-12-17)32-10-15-8-29-9-16(11-32)25(15,26)27/h2-5,7,15-17,29H,6,8-12,28H2,1H3,(H,31,33)/t15?,16?,17-/m1/s1
InChIKeyGCSFOFZGBWIJKA-OFLPRAFFSA-N
XLogP3.21
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-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-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 137480850) is 3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-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-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GCSFOFZGBWIJKA-OFLPRAFFSA-N. The full InChI is InChI=1S/C25H27F2N5O2S/c1-13-2-5-19-21(28)22(35-24(19)30-13)23(33)31-17-6-14-3-4-18(7-20(14)34-12-17)32-10-15-8-29-9-16(11-32)25(15,26)27/h2-5,7,15-17,29H,6,8-12,28H2,1H3,(H,31,33)/t15?,16?,17-/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 3.21, 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-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137480850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).