3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H26F2N6O2S — CID 137488885

IUPAC3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CC6CNCC5CC6(F)F)ccc4C3)sc2n1
InChIInChI=1S/C24H26F2N6O2S/c1-12-2-4-17-19(27)20(35-23(17)29-12)21(33)30-15-6-13-3-5-18(31-22(13)34-11-15)32-10-14-8-28-9-16(32)7-24(14,25)26/h2-5,14-16,28H,6-11,27H2,1H3,(H,30,33)/t14?,15-,16?/m1/s1
InChIKeyYJWDBLSDUDYFIG-HWOWSKLDSA-N
MW500.58 g/mol
LogP2.75
Rot. Bonds3

About 3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137488885) has the molecular formula C24H26F2N6O2S and a molecular weight of 500.58 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137488885
Molecular FormulaC24H26F2N6O2S
Molecular Weight500.58 g/mol
Exact Mass500.18
IUPAC Name3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CC6CNCC5CC6(F)F)ccc4C3)sc2n1
InChIInChI=1S/C24H26F2N6O2S/c1-12-2-4-17-19(27)20(35-23(17)29-12)21(33)30-15-6-13-3-5-18(31-22(13)34-11-15)32-10-14-8-28-9-16(32)7-24(14,25)26/h2-5,14-16,28H,6-11,27H2,1H3,(H,30,33)/t14?,15-,16?/m1/s1
InChIKeyYJWDBLSDUDYFIG-HWOWSKLDSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]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-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 137488885) is 3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CC6CNCC5CC6(F)F)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YJWDBLSDUDYFIG-HWOWSKLDSA-N. The full InChI is InChI=1S/C24H26F2N6O2S/c1-12-2-4-17-19(27)20(35-23(17)29-12)21(33)30-15-6-13-3-5-18(31-22(13)34-11-15)32-10-14-8-28-9-16(32)7-24(14,25)26/h2-5,14-16,28H,6-11,27H2,1H3,(H,30,33)/t14?,15-,16?/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 500.58 g/mol, XLogP of 2.75, 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)-7-(8,8-difluoro-3,6-diazabicyclo[3.2.2]nonan-6-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137488885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).