[(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone

C19H21N7O2 — CID 121418740

IUPAC[(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone
SMILESCOc1cccnc1N[C@@H]1C[C@@H](C)N(C(=O)c2nccnc2-n2cccn2)C1
InChIInChI=1S/C19H21N7O2/c1-13-11-14(24-17-15(28-2)5-3-6-21-17)12-25(13)19(27)16-18(22-9-8-20-16)26-10-4-7-23-26/h3-10,13-14H,11-12H2,1-2H3,(H,21,24)/t13-,14-/m1/s1
InChIKeyVYBLMOVJAQIVKL-ZIAGYGMSSA-N
MW379.42 g/mol
LogP1.78
Rot. Bonds5

About [(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone

[(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone (PubChem CID 121418740) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is [(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone
PubChem CID121418740
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name[(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone
SMILESCOc1cccnc1N[C@@H]1C[C@@H](C)N(C(=O)c2nccnc2-n2cccn2)C1
InChIInChI=1S/C19H21N7O2/c1-13-11-14(24-17-15(28-2)5-3-6-21-17)12-25(13)19(27)16-18(22-9-8-20-16)26-10-4-7-23-26/h3-10,13-14H,11-12H2,1-2H3,(H,21,24)/t13-,14-/m1/s1
InChIKeyVYBLMOVJAQIVKL-ZIAGYGMSSA-N
XLogP1.78
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449197
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449199
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449721
3-[[1-(1-Methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-propan-2-yl-5-[3-(prop-2-enoylamino)phenoxy]pyrazine-2-carboxamide
CID 71667814
4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 130299189
4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 130299303
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 154654174
5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654411
4-[2-(5-methoxy-3-pyridinyl)ethynyl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 154654494
US11780827, Example 21
CID 161291168
US11780827, Example 20
CID 166023654
US11780827, Example 24
CID 166023655

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone?
The IUPAC name of [(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone (CID 121418740) is [(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone?
The canonical SMILES for [(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone is COc1cccnc1N[C@@H]1C[C@@H](C)N(C(=O)c2nccnc2-n2cccn2)C1.
What is the InChIKey of [(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone?
The InChIKey is VYBLMOVJAQIVKL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-13-11-14(24-17-15(28-2)5-3-6-21-17)12-25(13)19(27)16-18(22-9-8-20-16)26-10-4-7-23-26/h3-10,13-14H,11-12H2,1-2H3,(H,21,24)/t13-,14-/m1/s1.
What are the key properties of [(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone?
[(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone has a molecular weight of 379.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-[(3-methoxy-2-pyridinyl)amino]-2-methylpyrrolidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone is sourced from PubChem (CID 121418740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).