3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C24H24F3N5O2S — CID 137488614

IUPAC3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)sc2n1
InChIInChI=1S/C24H24F3N5O2S/c1-11-4-17(24(25,26)27)19-20(28)21(35-23(19)29-11)22(33)31-15-5-12-2-3-16(7-18(12)34-10-15)32-8-13-6-14(9-32)30-13/h2-4,7,13-15,30H,5-6,8-10,28H2,1H3,(H,31,33)/t13?,14?,15-/m1/s1
InChIKeySWTNXGIAFHAWNZ-YMAMQOFZSA-N
MW503.55 g/mol
LogP3.49
Rot. Bonds3

About 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137488614) has the molecular formula C24H24F3N5O2S and a molecular weight of 503.55 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID137488614
Molecular FormulaC24H24F3N5O2S
Molecular Weight503.55 g/mol
Exact Mass503.16
IUPAC Name3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)sc2n1
InChIInChI=1S/C24H24F3N5O2S/c1-11-4-17(24(25,26)27)19-20(28)21(35-23(19)29-11)22(33)31-15-5-12-2-3-16(7-18(12)34-10-15)32-8-13-6-14(9-32)30-13/h2-4,7,13-15,30H,5-6,8-10,28H2,1H3,(H,31,33)/t13?,14?,15-/m1/s1
InChIKeySWTNXGIAFHAWNZ-YMAMQOFZSA-N
XLogP3.49
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.55
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[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-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 137488614) is 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CC(C5)N6)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SWTNXGIAFHAWNZ-YMAMQOFZSA-N. The full InChI is InChI=1S/C24H24F3N5O2S/c1-11-4-17(24(25,26)27)19-20(28)21(35-23(19)29-11)22(33)31-15-5-12-2-3-16(7-18(12)34-10-15)32-8-13-6-14(9-32)30-13/h2-4,7,13-15,30H,5-6,8-10,28H2,1H3,(H,31,33)/t13?,14?,15-/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 503.55 g/mol, XLogP of 3.49, 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-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137488614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).