(3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C23H24N6O2 — CID 53247556

IUPAC(3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4c3)[C@@H](C)[C@@H](C)NC5=O)cnc21
InChIInChI=1S/C23H24N6O2/c1-12(2)29-21-17(10-25-29)7-18(11-24-21)27-22(30)16-6-5-15-8-20-23(31)26-13(3)14(4)28(20)19(15)9-16/h5-14H,1-4H3,(H,26,31)(H,27,30)/t13-,14+/m1/s1
InChIKeyWQNVQJMMIKDJGT-KGLIPLIRSA-N
MW416.49 g/mol
LogP3.91
Rot. Bonds3

About (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

(3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 53247556) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID53247556
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name(3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4c3)[C@@H](C)[C@@H](C)NC5=O)cnc21
InChIInChI=1S/C23H24N6O2/c1-12(2)29-21-17(10-25-29)7-18(11-24-21)27-22(30)16-6-5-15-8-20-23(31)26-13(3)14(4)28(20)19(15)9-16/h5-14H,1-4H3,(H,26,31)(H,27,30)/t13-,14+/m1/s1
InChIKeyWQNVQJMMIKDJGT-KGLIPLIRSA-N
XLogP3.91
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 53247556) is (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is CC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4c3)[C@@H](C)[C@@H](C)NC5=O)cnc21.
What is the InChIKey of (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is WQNVQJMMIKDJGT-KGLIPLIRSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-12(2)29-21-17(10-25-29)7-18(11-24-21)27-22(30)16-6-5-15-8-20-23(31)26-13(3)14(4)28(20)19(15)9-16/h5-14H,1-4H3,(H,26,31)(H,27,30)/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
(3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethyl-1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 53247556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).