[(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone

C23H30N4O2S — CID 174346715

IUPAC[(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
SMILESCO[C@@H]1CCN(C(=O)c2cc3[nH]c(-c4cc(C)nc(C)c4)c(C(C)C)c3s2)CC1N
InChIInChI=1S/C23H30N4O2S/c1-12(2)20-21(15-8-13(3)25-14(4)9-15)26-17-10-19(30-22(17)20)23(28)27-7-6-18(29-5)16(24)11-27/h8-10,12,16,18,26H,6-7,11,24H2,1-5H3/t16?,18-/m1/s1
InChIKeyRJZHGCVDQDGMLQ-UHUGOGIASA-N
MW426.59 g/mol
LogP4.22
Rot. Bonds4

About [(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone

[(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone (PubChem CID 174346715) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is [(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
PubChem CID174346715
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name[(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
SMILESCO[C@@H]1CCN(C(=O)c2cc3[nH]c(-c4cc(C)nc(C)c4)c(C(C)C)c3s2)CC1N
InChIInChI=1S/C23H30N4O2S/c1-12(2)20-21(15-8-13(3)25-14(4)9-15)26-17-10-19(30-22(17)20)23(28)27-7-6-18(29-5)16(24)11-27/h8-10,12,16,18,26H,6-7,11,24H2,1-5H3/t16?,18-/m1/s1
InChIKeyRJZHGCVDQDGMLQ-UHUGOGIASA-N
XLogP4.22
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 174346809
3,6-diazabicyclo[3.1.1]heptan-3-yl-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876367
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876637
(4-hydroxypiperidin-1-yl)-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876603
[(2S,3S)-3-amino-2-methylpiperidin-1-yl]-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876415
N'-[5-[2-[3-(dimethylamino)azetidine-1-carbonyl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-5-yl]-3-methyl-2-pyridinyl]methanimidamide
CID 164876645
[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone
CID 150088835
(3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone
CID 164553454
3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 134329418
5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 56876878
(3,3-dimethylpiperazin-1-yl)-[5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 174347580
2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 164876597

Frequently Asked Questions

What is the IUPAC name of [(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone?
The IUPAC name of [(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone (CID 174346715) is [(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone.
What is the SMILES notation for [(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone?
The canonical SMILES for [(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone is CO[C@@H]1CCN(C(=O)c2cc3[nH]c(-c4cc(C)nc(C)c4)c(C(C)C)c3s2)CC1N.
What is the InChIKey of [(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone?
The InChIKey is RJZHGCVDQDGMLQ-UHUGOGIASA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-12(2)20-21(15-8-13(3)25-14(4)9-15)26-17-10-19(30-22(17)20)23(28)27-7-6-18(29-5)16(24)11-27/h8-10,12,16,18,26H,6-7,11,24H2,1-5H3/t16?,18-/m1/s1.
What are the key properties of [(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone?
[(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone has a molecular weight of 426.59 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3-amino-4-methoxypiperidin-1-yl]-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone is sourced from PubChem (CID 174346715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).