[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C17H19N7O2 — CID 95108015

IUPAC[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCN(C)c1cc(O[C@H]2CCN(C(=O)c3cnn4cccnc34)C2)ncn1
InChIInChI=1S/C17H19N7O2/c1-22(2)14-8-15(20-11-19-14)26-12-4-7-23(10-12)17(25)13-9-21-24-6-3-5-18-16(13)24/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3/t12-/m0/s1
InChIKeyUSRMQWAILUAFIF-LBPRGKRZSA-N
MW353.39 g/mol
LogP0.88
Rot. Bonds4

About [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 95108015) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID95108015
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCN(C)c1cc(O[C@H]2CCN(C(=O)c3cnn4cccnc34)C2)ncn1
InChIInChI=1S/C17H19N7O2/c1-22(2)14-8-15(20-11-19-14)26-12-4-7-23(10-12)17(25)13-9-21-24-6-3-5-18-16(13)24/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3/t12-/m0/s1
InChIKeyUSRMQWAILUAFIF-LBPRGKRZSA-N
XLogP0.88
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 95108015) is [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is CN(C)c1cc(O[C@H]2CCN(C(=O)c3cnn4cccnc34)C2)ncn1.
What is the InChIKey of [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is USRMQWAILUAFIF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-22(2)14-8-15(20-11-19-14)26-12-4-7-23(10-12)17(25)13-9-21-24-6-3-5-18-16(13)24/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 353.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 95108015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).