3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine

C21H29N5O — CID 134316681

IUPAC3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc(C3C=C(C4CCN(C5COC5)C4)N(C(C)C)N3)cc12
InChIInChI=1S/C21H29N5O/c1-13(2)26-20(15-4-5-25(10-15)17-11-27-12-17)7-19(24-26)16-6-18-14(3)8-22-21(18)23-9-16/h6-9,13,15,17,19,24H,4-5,10-12H2,1-3H3,(H,22,23)
InChIKeyHFGKPAFZRIRPAX-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.75
Rot. Bonds4

About 3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine

3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 134316681) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID134316681
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc(C3C=C(C4CCN(C5COC5)C4)N(C(C)C)N3)cc12
InChIInChI=1S/C21H29N5O/c1-13(2)26-20(15-4-5-25(10-15)17-11-27-12-17)7-19(24-26)16-6-18-14(3)8-22-21(18)23-9-16/h6-9,13,15,17,19,24H,4-5,10-12H2,1-3H3,(H,22,23)
InChIKeyHFGKPAFZRIRPAX-UHFFFAOYSA-N
XLogP2.75
TPSA56.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine (CID 134316681) is 3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2ncc(C3C=C(C4CCN(C5COC5)C4)N(C(C)C)N3)cc12.
What is the InChIKey of 3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HFGKPAFZRIRPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-13(2)26-20(15-4-5-25(10-15)17-11-27-12-17)7-19(24-26)16-6-18-14(3)8-22-21(18)23-9-16/h6-9,13,15,17,19,24H,4-5,10-12H2,1-3H3,(H,22,23).
What are the key properties of 3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 367.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-yl-1,5-dihydropyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 134316681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).