N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide

C25H26N2O3S — CID 155138717

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(C3=CCOCC3)ccnc12
InChIInChI=1S/C25H26N2O3S/c1-15(2)21-22-23(17(7-11-26-22)16-8-12-29-13-9-16)31-24(21)25(28)27-19-10-14-30-20-6-4-3-5-18(19)20/h3-8,11,15,19H,9-10,12-14H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyJPYLJSKQQFQTQQ-IBGZPJMESA-N
MW434.56 g/mol
LogP5.48
Rot. Bonds4

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155138717) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
PubChem CID155138717
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(C3=CCOCC3)ccnc12
InChIInChI=1S/C25H26N2O3S/c1-15(2)21-22-23(17(7-11-26-22)16-8-12-29-13-9-16)31-24(21)25(28)27-19-10-14-30-20-6-4-3-5-18(19)20/h3-8,11,15,19H,9-10,12-14H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyJPYLJSKQQFQTQQ-IBGZPJMESA-N
XLogP5.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide with MolForge

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Related Compounds

7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155138476
7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155138721
N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155125928
7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3,6-dihydro-2H-pyran-4-yl)-1-benzothiophene-2-carboxamide
CID 155135253
7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide
CID 155135421
7-(2-chloro-4-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 155135571
7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155698070
N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 155135332
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
CID 31284395
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4,5-dimethyl-3-propan-2-ylfuran-2-carboxamide
CID 155135559
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide
CID 162493581
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8927968

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide (CID 155138717) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide is CC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(C3=CCOCC3)ccnc12.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is JPYLJSKQQFQTQQ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-15(2)21-22-23(17(7-11-26-22)16-8-12-29-13-9-16)31-24(21)25(28)27-19-10-14-30-20-6-4-3-5-18(19)20/h3-8,11,15,19H,9-10,12-14H2,1-2H3,(H,27,28)/t19-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155138717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).