4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide

C28H26FN9OS — CID 146638975

IUPAC4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3ncc(Sn4ncc5ncc(-c6cnn(CCN(C)C)c6)cc54)n3c2)cc1F
InChIInChI=1S/C28H26FN9OS/c1-30-28(39)22-6-4-18(10-23(22)29)19-5-7-26-32-15-27(37(26)17-19)40-38-25-11-20(12-31-24(25)14-34-38)21-13-33-36(16-21)9-8-35(2)3/h4-7,10-17H,8-9H2,1-3H3,(H,30,39)
InChIKeyNKVMCPCKVPBOPT-UHFFFAOYSA-N
MW555.64 g/mol
LogP4.23
Rot. Bonds8

About 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide

4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide (PubChem CID 146638975) has the molecular formula C28H26FN9OS and a molecular weight of 555.64 g/mol. Its IUPAC name is 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide
PubChem CID146638975
Molecular FormulaC28H26FN9OS
Molecular Weight555.64 g/mol
Exact Mass555.20
IUPAC Name4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3ncc(Sn4ncc5ncc(-c6cnn(CCN(C)C)c6)cc54)n3c2)cc1F
InChIInChI=1S/C28H26FN9OS/c1-30-28(39)22-6-4-18(10-23(22)29)19-5-7-26-32-15-27(37(26)17-19)40-38-25-11-20(12-31-24(25)14-34-38)21-13-33-36(16-21)9-8-35(2)3/h4-7,10-17H,8-9H2,1-3H3,(H,30,39)
InChIKeyNKVMCPCKVPBOPT-UHFFFAOYSA-N
XLogP4.23
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.64
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide (CID 146638975) is 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3ncc(Sn4ncc5ncc(-c6cnn(CCN(C)C)c6)cc54)n3c2)cc1F.
What is the InChIKey of 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide?
The InChIKey is NKVMCPCKVPBOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN9OS/c1-30-28(39)22-6-4-18(10-23(22)29)19-5-7-26-32-15-27(37(26)17-19)40-38-25-11-20(12-31-24(25)14-34-38)21-13-33-36(16-21)9-8-35(2)3/h4-7,10-17H,8-9H2,1-3H3,(H,30,39).
What are the key properties of 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide?
4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide has a molecular weight of 555.64 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 146638975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).