(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C28H25N5O — CID 55557469

IUPAC(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCn4cccc4C3c3ccccc3)c12
InChIInChI=1S/C28H25N5O/c1-19-25-22(18-23(20-10-5-3-6-11-20)29-27(25)31(2)30-19)28(34)33-17-16-32-15-9-14-24(32)26(33)21-12-7-4-8-13-21/h3-15,18,26H,16-17H2,1-2H3
InChIKeyRLMLXRVRVAJEME-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.99
Rot. Bonds3

About (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 55557469) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID55557469
Molecular FormulaC28H25N5O
Molecular Weight447.54 g/mol
Exact Mass447.21
IUPAC Name(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCn4cccc4C3c3ccccc3)c12
InChIInChI=1S/C28H25N5O/c1-19-25-22(18-23(20-10-5-3-6-11-20)29-27(25)31(2)30-19)28(34)33-17-16-32-15-9-14-24(32)26(33)21-12-7-4-8-13-21/h3-15,18,26H,16-17H2,1-2H3
InChIKeyRLMLXRVRVAJEME-UHFFFAOYSA-N
XLogP4.99
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 55557469) is (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCn4cccc4C3c3ccccc3)c12.
What is the InChIKey of (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is RLMLXRVRVAJEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O/c1-19-25-22(18-23(20-10-5-3-6-11-20)29-27(25)31(2)30-19)28(34)33-17-16-32-15-9-14-24(32)26(33)21-12-7-4-8-13-21/h3-15,18,26H,16-17H2,1-2H3.
What are the key properties of (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 447.54 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 55557469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).