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

C23H25ClN4O2S — CID 167701858

IUPAC3-amino-N-[(3R)-8-chloro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4c(ccc(N5CCCCC5)c4Cl)C3)sc2n1
InChIInChI=1S/C23H25ClN4O2S/c1-13-5-7-16-19(25)21(31-23(16)26-13)22(29)27-15-11-14-6-8-17(18(24)20(14)30-12-15)28-9-3-2-4-10-28/h5-8,15H,2-4,9-12,25H2,1H3,(H,27,29)/t15-/m1/s1
InChIKeyGOCXLBZJUVAFCI-OAHLLOKOSA-N
MW457.00 g/mol
LogP4.56
Rot. Bonds3

About 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

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 (PubChem CID 167701858) has the molecular formula C23H25ClN4O2S and a molecular weight of 457.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-amino-N-[(3R)-8-chloro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID167701858
Molecular FormulaC23H25ClN4O2S
Molecular Weight457.00 g/mol
Exact Mass456.14
IUPAC Name3-amino-N-[(3R)-8-chloro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4c(ccc(N5CCCCC5)c4Cl)C3)sc2n1
InChIInChI=1S/C23H25ClN4O2S/c1-13-5-7-16-19(25)21(31-23(16)26-13)22(29)27-15-11-14-6-8-17(18(24)20(14)30-12-15)28-9-3-2-4-10-28/h5-8,15H,2-4,9-12,25H2,1H3,(H,27,29)/t15-/m1/s1
InChIKeyGOCXLBZJUVAFCI-OAHLLOKOSA-N
XLogP4.56
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 90645304
3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 90645305
3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155556612
CID 155277574
CID 155277574
3-Amino-4-[2-chloro-4-[4-(dimethylamino)-4-oxobutyl]phenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155520791
3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 137480334
3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480360
3-amino-N-(5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480363
3-amino-N-[(3S)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480401
3-amino-N-[(3S)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 137480402
tert-butyl 7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480426
tert-butyl 7-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480429

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(ccc(N5CCCCC5)c4Cl)C3)sc2n1.
What is the InChIKey of 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?
The InChIKey is GOCXLBZJUVAFCI-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25ClN4O2S/c1-13-5-7-16-19(25)21(31-23(16)26-13)22(29)27-15-11-14-6-8-17(18(24)20(14)30-12-15)28-9-3-2-4-10-28/h5-8,15H,2-4,9-12,25H2,1H3,(H,27,29)/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 457.00 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167701858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).