[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C19H24N4O2 — CID 128977944

IUPAC[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)N(C)C1
InChIInChI=1S/C19H24N4O2/c1-22-12-14(25-2)10-17(22)19(24)23-8-5-13(6-9-23)16-11-21-18-15(16)4-3-7-20-18/h3-5,7,11,14,17H,6,8-10,12H2,1-2H3,(H,20,21)/t14-,17-/m0/s1
InChIKeyJBIJPLQLOWWOPC-YOEHRIQHSA-N
MW340.43 g/mol
LogP1.90
Rot. Bonds3

About [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 128977944) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID128977944
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)N(C)C1
InChIInChI=1S/C19H24N4O2/c1-22-12-14(25-2)10-17(22)19(24)23-8-5-13(6-9-23)16-11-21-18-15(16)4-3-7-20-18/h3-5,7,11,14,17H,6,8-10,12H2,1-2H3,(H,20,21)/t14-,17-/m0/s1
InChIKeyJBIJPLQLOWWOPC-YOEHRIQHSA-N
XLogP1.90
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[(3S)-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]methanone
CID 97013141
1-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55888396
(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24632252
benzyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44633230
N-[(2-methoxyphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634277
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
CID 75466601
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 24676138
N-(2-phenoxyethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634017
[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 24632257
N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide
CID 24632245
N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 165340215
1-[5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 42032790

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 128977944) is [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CO[C@H]1C[C@@H](C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)N(C)C1.
What is the InChIKey of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is JBIJPLQLOWWOPC-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-12-14(25-2)10-17(22)19(24)23-8-5-13(6-9-23)16-11-21-18-15(16)4-3-7-20-18/h3-5,7,11,14,17H,6,8-10,12H2,1-2H3,(H,20,21)/t14-,17-/m0/s1.
What are the key properties of [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 128977944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).