[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

C17H20N6O2 — CID 154762023

IUPAC[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCc1ccc2oc(C(=O)N3C[C@@H](N(C)C)[C@@H](n4ccnn4)C3)cc2n1
InChIInChI=1S/C17H20N6O2/c1-11-4-5-15-12(19-11)8-16(25-15)17(24)22-9-13(21(2)3)14(10-22)23-7-6-18-20-23/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyQOVKEXNBQFMYEQ-KGLIPLIRSA-N
MW340.39 g/mol
LogP1.36
Rot. Bonds3

About [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (PubChem CID 154762023) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
PubChem CID154762023
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCc1ccc2oc(C(=O)N3C[C@@H](N(C)C)[C@@H](n4ccnn4)C3)cc2n1
InChIInChI=1S/C17H20N6O2/c1-11-4-5-15-12(19-11)8-16(25-15)17(24)22-9-13(21(2)3)14(10-22)23-7-6-18-20-23/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyQOVKEXNBQFMYEQ-KGLIPLIRSA-N
XLogP1.36
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963567
3,4-dihydro-1H-isochromen-6-yl-[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 154783959
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone
CID 167789108
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 154793793
5-[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidine-1-carbonyl]-1-methylpyrrole-2-carbonitrile
CID 167876894
[4-(methylamino)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119564041
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
CID 154762028
5-methyl-2-[4-(sulfamoylamino)piperidine-1-carbonyl]furo[3,2-b]pyridine
CID 167911199
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 167758506
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 95340989
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-propan-2-yloxy-4-pyridinyl)methanone
CID 167753963
[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 56779807

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The IUPAC name of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (CID 154762023) is [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The canonical SMILES for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is Cc1ccc2oc(C(=O)N3C[C@@H](N(C)C)[C@@H](n4ccnn4)C3)cc2n1.
What is the InChIKey of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The InChIKey is QOVKEXNBQFMYEQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-4-5-15-12(19-11)8-16(25-15)17(24)22-9-13(21(2)3)14(10-22)23-7-6-18-20-23/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone has a molecular weight of 340.39 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is sourced from PubChem (CID 154762023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).