3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C24H28N4O2S — CID 167673384

IUPAC3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCCCC5)ccc4[C@@H]3C)sc2n1
InChIInChI=1S/C24H28N4O2S/c1-14-6-8-18-21(25)22(31-24(18)26-14)23(29)27-19-13-30-20-12-16(7-9-17(20)15(19)2)28-10-4-3-5-11-28/h6-9,12,15,19H,3-5,10-11,13,25H2,1-2H3,(H,27,29)/t15-,19+/m0/s1
InChIKeyZONOIPMJJMHEFZ-HNAYVOBHSA-N
MW436.58 g/mol
LogP4.47
Rot. Bonds3

About 3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167673384) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID167673384
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCCCC5)ccc4[C@@H]3C)sc2n1
InChIInChI=1S/C24H28N4O2S/c1-14-6-8-18-21(25)22(31-24(18)26-14)23(29)27-19-13-30-20-12-16(7-9-17(20)15(19)2)28-10-4-3-5-11-28/h6-9,12,15,19H,3-5,10-11,13,25H2,1-2H3,(H,27,29)/t15-,19+/m0/s1
InChIKeyZONOIPMJJMHEFZ-HNAYVOBHSA-N
XLogP4.47
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-methyl-N-[(3R,4R)-4-methyl-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 137489658
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488714
3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 167224729
tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate
CID 137480438
3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166492950
3-amino-N-[(3R)-7-[(3R,4S)-3-ethyl-4-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167609536
3-amino-N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167224719
3-amino-N-[(3R)-7-[(3S,4R)-3-ethyl-4-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167609535
3-amino-N-[(3R)-7-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 151307460
3-amino-N-[(3R)-8-chloro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167701858
3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclopropyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166493044
3-amino-N-[(3R)-7-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167224919

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 167673384) is 3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCCCC5)ccc4[C@@H]3C)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZONOIPMJJMHEFZ-HNAYVOBHSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-14-6-8-18-21(25)22(31-24(18)26-14)23(29)27-19-13-30-20-12-16(7-9-17(20)15(19)2)28-10-4-3-5-11-28/h6-9,12,15,19H,3-5,10-11,13,25H2,1-2H3,(H,27,29)/t15-,19+/m0/s1.
What are the key properties of 3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[(3S,4S)-4-methyl-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167673384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).