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

C24H26F3N5O2S — CID 137489503

IUPAC3-amino-N-[(3R)-7-[(3S)-3-amino-3-(trifluoromethyl)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]3COc4cc(N5CCC[C@@](N)(C(F)(F)F)C5)ccc4C3)sc2n1
InChIInChI=1S/C24H26F3N5O2S/c1-13-3-6-17-19(28)20(35-22(17)30-13)21(33)31-15-9-14-4-5-16(10-18(14)34-11-15)32-8-2-7-23(29,12-32)24(25,26)27/h3-6,10,15H,2,7-9,11-12,28-29H2,1H3,(H,31,33)/t15-,23+/m1/s1
InChIKeyJLWVNCPKJLXFPR-CMJOXMDJSA-N
MW505.57 g/mol
LogP3.78
Rot. Bonds3

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

3-amino-N-[(3R)-7-[(3S)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137489503) has the molecular formula C24H26F3N5O2S and a molecular weight of 505.57 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3S)-3-amino-3-(trifluoromethyl)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)-7-[(3S)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137489503
Molecular FormulaC24H26F3N5O2S
Molecular Weight505.57 g/mol
Exact Mass505.18
IUPAC Name3-amino-N-[(3R)-7-[(3S)-3-amino-3-(trifluoromethyl)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]3COc4cc(N5CCC[C@@](N)(C(F)(F)F)C5)ccc4C3)sc2n1
InChIInChI=1S/C24H26F3N5O2S/c1-13-3-6-17-19(28)20(35-22(17)30-13)21(33)31-15-9-14-4-5-16(10-18(14)34-11-15)32-8-2-7-23(29,12-32)24(25,26)27/h3-6,10,15H,2,7-9,11-12,28-29H2,1H3,(H,31,33)/t15-,23+/m1/s1
InChIKeyJLWVNCPKJLXFPR-CMJOXMDJSA-N
XLogP3.78
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(3R)-7-[(3S)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-Amino-6-ethoxythiopheno[2,3-b]quinolin-2-yl morpholin-4-yl ketone
CID 1164074
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CID 5297520
3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004107
3-amino-6-ethyl-N-(2-(trifluoromethoxy)phenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508674
(3-Amino-6-ethoxy-thieno[2,3-b]quinolin-2-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 655631
3-amino-6-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508222
3-amino-6-(4-methoxyphenyl)-N-[2-(methylthio)ethyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2972205
8-amino-N-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-1,4-ethanothieno[2,3-b][1,5]naphthyridine-7-carboxamide
CID 4912524
3-amino-6-benzyl-N-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 16008905
3-amino-6-benzyl-N-(2-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 16008907
3-amino-6-benzyl-N-(4-ethoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 16008925
3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866562

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3S)-3-amino-3-(trifluoromethyl)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)-7-[(3S)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 137489503) is 3-amino-N-[(3R)-7-[(3S)-3-amino-3-(trifluoromethyl)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)-7-[(3S)-3-amino-3-(trifluoromethyl)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)-7-[(3S)-3-amino-3-(trifluoromethyl)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]3COc4cc(N5CCC[C@@](N)(C(F)(F)F)C5)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-[(3S)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JLWVNCPKJLXFPR-CMJOXMDJSA-N. The full InChI is InChI=1S/C24H26F3N5O2S/c1-13-3-6-17-19(28)20(35-22(17)30-13)21(33)31-15-9-14-4-5-16(10-18(14)34-11-15)32-8-2-7-23(29,12-32)24(25,26)27/h3-6,10,15H,2,7-9,11-12,28-29H2,1H3,(H,31,33)/t15-,23+/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-[(3S)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-[(3S)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 505.57 g/mol, XLogP of 3.78, 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-[(3S)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137489503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).