7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione

C17H17ClN4O3 — CID 53367638

IUPAC7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC21C(=O)N(C)c2c(Cl)cccc21
InChIInChI=1S/C17H17ClN4O3/c1-8(2)22-14-12(15(24)20-22)17(7-11(23)19-14)9-5-4-6-10(18)13(9)21(3)16(17)25/h4-6,8H,7H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyRMTRLYPRYZZORD-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.02
Rot. Bonds1

About 7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione

7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione (PubChem CID 53367638) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione.

Molecular Properties

Compound Name7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
PubChem CID53367638
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC21C(=O)N(C)c2c(Cl)cccc21
InChIInChI=1S/C17H17ClN4O3/c1-8(2)22-14-12(15(24)20-22)17(7-11(23)19-14)9-5-4-6-10(18)13(9)21(3)16(17)25/h4-6,8H,7H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyRMTRLYPRYZZORD-UHFFFAOYSA-N
XLogP2.02
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The IUPAC name of 7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione (CID 53367638) is 7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione.
What is the SMILES notation for 7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The canonical SMILES for 7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione is CC(C)n1[nH]c(=O)c2c1NC(=O)CC21C(=O)N(C)c2c(Cl)cccc21.
What is the InChIKey of 7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The InChIKey is RMTRLYPRYZZORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-8(2)22-14-12(15(24)20-22)17(7-11(23)19-14)9-5-4-6-10(18)13(9)21(3)16(17)25/h4-6,8H,7H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione has a molecular weight of 360.80 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-chloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione is sourced from PubChem (CID 53367638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).