[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C24H20ClN7OS — CID 58173414

IUPAC[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESNc1c(Cl)c(N2CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H20ClN7OS/c25-20-21(26)32-22(17(14-28-32)16-12-15-4-1-2-5-18(15)27-13-16)29-23(20)30-7-9-31(10-8-30)24(33)19-6-3-11-34-19/h1-6,11-14H,7-10,26H2
InChIKeyHQWAOHOWVFSPQW-UHFFFAOYSA-N
MW489.99 g/mol
LogP4.20
Rot. Bonds3

About [4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 58173414) has the molecular formula C24H20ClN7OS and a molecular weight of 489.99 g/mol. Its IUPAC name is [4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID58173414
Molecular FormulaC24H20ClN7OS
Molecular Weight489.99 g/mol
Exact Mass489.11
IUPAC Name[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESNc1c(Cl)c(N2CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H20ClN7OS/c25-20-21(26)32-22(17(14-28-32)16-12-15-4-1-2-5-18(15)27-13-16)29-23(20)30-7-9-31(10-8-30)24(33)19-6-3-11-34-19/h1-6,11-14H,7-10,26H2
InChIKeyHQWAOHOWVFSPQW-UHFFFAOYSA-N
XLogP4.20
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.99
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 58173414) is [4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone is Nc1c(Cl)c(N2CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of [4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is HQWAOHOWVFSPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7OS/c25-20-21(26)32-22(17(14-28-32)16-12-15-4-1-2-5-18(15)27-13-16)29-23(20)30-7-9-31(10-8-30)24(33)19-6-3-11-34-19/h1-6,11-14H,7-10,26H2.
What are the key properties of [4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 489.99 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 58173414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).