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

C23H27N5O2S — CID 137489658

IUPAC3-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
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4[C@H]3C)sc2n1
InChIInChI=1S/C23H27N5O2S/c1-13-3-5-17-20(24)21(31-23(17)26-13)22(29)27-18-12-30-19-11-15(4-6-16(19)14(18)2)28-9-7-25-8-10-28/h3-6,11,14,18,25H,7-10,12,24H2,1-2H3,(H,27,29)/t14-,18+/m1/s1
InChIKeyYHZFSNYMCIATER-KDOFPFPSSA-N
MW437.57 g/mol
LogP2.89
Rot. Bonds3

About 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

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 (PubChem CID 137489658) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID137489658
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name3-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
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4[C@H]3C)sc2n1
InChIInChI=1S/C23H27N5O2S/c1-13-3-5-17-20(24)21(31-23(17)26-13)22(29)27-18-12-30-19-11-15(4-6-16(19)14(18)2)28-9-7-25-8-10-28/h3-6,11,14,18,25H,7-10,12,24H2,1-2H3,(H,27,29)/t14-,18+/m1/s1
InChIKeyYHZFSNYMCIATER-KDOFPFPSSA-N
XLogP2.89
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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-6-methyl-N-[(3R)-5,6,8-trifluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 137480679
3-amino-N-[(2S)-5,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480560
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-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 137480343
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)-7-[(1S,6R)-3,8-diazabicyclo[4.2.0]octan-8-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488887
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4[C@H]3C)sc2n1.
What is the InChIKey of 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?
The InChIKey is YHZFSNYMCIATER-KDOFPFPSSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-13-3-5-17-20(24)21(31-23(17)26-13)22(29)27-18-12-30-19-11-15(4-6-16(19)14(18)2)28-9-7-25-8-10-28/h3-6,11,14,18,25H,7-10,12,24H2,1-2H3,(H,27,29)/t14-,18+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 437.57 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137489658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).