8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H19ClN8O2 — CID 58173310

IUPAC8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESNc1c(Cl)c(N2CCC3(CC2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H19ClN8O2/c23-16-17(24)31-18(14(11-26-31)13-9-12-3-1-2-4-15(12)25-10-13)27-19(16)30-7-5-22(6-8-30)20(32)28-21(33)29-22/h1-4,9-11H,5-8,24H2,(H2,28,29,32,33)
InChIKeyYGEASTUVUKNLEZ-UHFFFAOYSA-N
MW462.90 g/mol
LogP2.36
Rot. Bonds2

About 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 58173310) has the molecular formula C22H19ClN8O2 and a molecular weight of 462.90 g/mol. Its IUPAC name is 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID58173310
Molecular FormulaC22H19ClN8O2
Molecular Weight462.90 g/mol
Exact Mass462.13
IUPAC Name8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESNc1c(Cl)c(N2CCC3(CC2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H19ClN8O2/c23-16-17(24)31-18(14(11-26-31)13-9-12-3-1-2-4-15(12)25-10-13)27-19(16)30-7-5-22(6-8-30)20(32)28-21(33)29-22/h1-4,9-11H,5-8,24H2,(H2,28,29,32,33)
InChIKeyYGEASTUVUKNLEZ-UHFFFAOYSA-N
XLogP2.36
TPSA130.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 58173310) is 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Nc1c(Cl)c(N2CCC3(CC2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YGEASTUVUKNLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O2/c23-16-17(24)31-18(14(11-26-31)13-9-12-3-1-2-4-15(12)25-10-13)27-19(16)30-7-5-22(6-8-30)20(32)28-21(33)29-22/h1-4,9-11H,5-8,24H2,(H2,28,29,32,33).
What are the key properties of 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 462.90 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 58173310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).