1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one

C24H26N6O2 — CID 162138722

IUPAC1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
SMILESCc1cc(-n2ncc3cc(CC(=O)C[C@H]4CN(C)C[C@@H]4c4cc(C)on4)ncc32)ccn1
InChIInChI=1S/C24H26N6O2/c1-15-6-20(4-5-25-15)30-24-12-26-19(8-17(24)11-27-30)10-21(31)9-18-13-29(3)14-22(18)23-7-16(2)32-28-23/h4-8,11-12,18,22H,9-10,13-14H2,1-3H3/t18-,22-/m0/s1
InChIKeyZJQJHTIRQNOOIC-AVRDEDQJSA-N
MW430.51 g/mol
LogP3.27
Rot. Bonds6

About 1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one

1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one (PubChem CID 162138722) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
PubChem CID162138722
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
SMILESCc1cc(-n2ncc3cc(CC(=O)C[C@H]4CN(C)C[C@@H]4c4cc(C)on4)ncc32)ccn1
InChIInChI=1S/C24H26N6O2/c1-15-6-20(4-5-25-15)30-24-12-26-19(8-17(24)11-27-30)10-21(31)9-18-13-29(3)14-22(18)23-7-16(2)32-28-23/h4-8,11-12,18,22H,9-10,13-14H2,1-3H3/t18-,22-/m0/s1
InChIKeyZJQJHTIRQNOOIC-AVRDEDQJSA-N
XLogP3.27
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one?
The IUPAC name of 1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one (CID 162138722) is 1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one.
What is the SMILES notation for 1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one?
The canonical SMILES for 1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one is Cc1cc(-n2ncc3cc(CC(=O)C[C@H]4CN(C)C[C@@H]4c4cc(C)on4)ncc32)ccn1.
What is the InChIKey of 1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one?
The InChIKey is ZJQJHTIRQNOOIC-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15-6-20(4-5-25-15)30-24-12-26-19(8-17(24)11-27-30)10-21(31)9-18-13-29(3)14-22(18)23-7-16(2)32-28-23/h4-8,11-12,18,22H,9-10,13-14H2,1-3H3/t18-,22-/m0/s1.
What are the key properties of 1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one?
1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one has a molecular weight of 430.51 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1-methyl-4-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one is sourced from PubChem (CID 162138722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).