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

C24H26F2N6O2S — CID 142528358

IUPAC3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC3COc4cc(N5CC6CNCC(C5)C6(F)F)ncc4C3)sc2n1
InChIInChI=1S/C24H26F2N6O2S/c1-12-2-3-17-20(27)21(35-23(17)30-12)22(33)31-16-4-13-6-29-19(5-18(13)34-11-16)32-9-14-7-28-8-15(10-32)24(14,25)26/h2-3,5-6,14-16,28H,4,7-11,27H2,1H3,(H,31,33)
InChIKeyYYRQXKBBDPTJIF-UHFFFAOYSA-N
MW500.58 g/mol
LogP2.61
Rot. Bonds3

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

3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 142528358) has the molecular formula C24H26F2N6O2S and a molecular weight of 500.58 g/mol. Its IUPAC name is 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID142528358
Molecular FormulaC24H26F2N6O2S
Molecular Weight500.58 g/mol
Exact Mass500.18
IUPAC Name3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC3COc4cc(N5CC6CNCC(C5)C6(F)F)ncc4C3)sc2n1
InChIInChI=1S/C24H26F2N6O2S/c1-12-2-3-17-20(27)21(35-23(17)30-12)22(33)31-16-4-13-6-29-19(5-18(13)34-11-16)32-9-14-7-28-8-15(10-32)24(14,25)26/h2-3,5-6,14-16,28H,4,7-11,27H2,1H3,(H,31,33)
InChIKeyYYRQXKBBDPTJIF-UHFFFAOYSA-N
XLogP2.61
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-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-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 142528358) is 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NC3COc4cc(N5CC6CNCC(C5)C6(F)F)ncc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YYRQXKBBDPTJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2S/c1-12-2-3-17-20(27)21(35-23(17)30-12)22(33)31-16-4-13-6-29-19(5-18(13)34-11-16)32-9-14-7-28-8-15(10-32)24(14,25)26/h2-3,5-6,14-16,28H,4,7-11,27H2,1H3,(H,31,33).
What are the key properties of 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 500.58 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 142528358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).