3-amino-N-[(3R)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H26FN5O3S — CID 142528428

IUPAC3-amino-N-[(3R)-5-fluoro-7-(9-oxa-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)O6)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H26FN5O3S/c1-12-2-3-17-21(26)22(34-24(17)28-12)23(31)29-13-4-18-19(25)5-14(6-20(18)32-11-13)30-9-15-7-27-8-16(10-30)33-15/h2-3,5-6,13,15-16,27H,4,7-11,26H2,1H3,(H,29,31)/t13-,15?,16?/m1/s1
InChIKeyZVNCRZFFEAPNRP-IUDNXUCKSA-N
MW483.57 g/mol
LogP2.24
Rot. Bonds3

About 3-amino-N-[(3R)-5-fluoro-7-(9-oxa-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)-5-fluoro-7-(9-oxa-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 142528428) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-amino-N-[(3R)-5-fluoro-7-(9-oxa-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)-5-fluoro-7-(9-oxa-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 CID142528428
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name3-amino-N-[(3R)-5-fluoro-7-(9-oxa-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)O6)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H26FN5O3S/c1-12-2-3-17-21(26)22(34-24(17)28-12)23(31)29-13-4-18-19(25)5-14(6-20(18)32-11-13)30-9-15-7-27-8-16(10-30)33-15/h2-3,5-6,13,15-16,27H,4,7-11,26H2,1H3,(H,29,31)/t13-,15?,16?/m1/s1
InChIKeyZVNCRZFFEAPNRP-IUDNXUCKSA-N
XLogP2.24
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[(3R)-5-fluoro-7-(9-oxa-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)-5-fluoro-7-(9-oxa-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)-5-fluoro-7-(9-oxa-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 142528428) is 3-amino-N-[(3R)-5-fluoro-7-(9-oxa-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)-5-fluoro-7-(9-oxa-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)-5-fluoro-7-(9-oxa-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)O6)cc(F)c4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-5-fluoro-7-(9-oxa-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 ZVNCRZFFEAPNRP-IUDNXUCKSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-12-2-3-17-21(26)22(34-24(17)28-12)23(31)29-13-4-18-19(25)5-14(6-20(18)32-11-13)30-9-15-7-27-8-16(10-30)33-15/h2-3,5-6,13,15-16,27H,4,7-11,26H2,1H3,(H,29,31)/t13-,15?,16?/m1/s1.
What are the key properties of 3-amino-N-[(3R)-5-fluoro-7-(9-oxa-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)-5-fluoro-7-(9-oxa-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 483.57 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-5-fluoro-7-(9-oxa-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 142528428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).