4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide

C24H21ClFN5O2 — CID 45268375

IUPAC4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
SMILESCCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C24H21ClFN5O2/c1-2-30-22(32)12-20(18-13-27-31(24(18)30)17-8-4-15(26)5-9-17)29-21-11-14(3-10-19(21)25)23(33)28-16-6-7-16/h3-5,8-13,16,29H,2,6-7H2,1H3,(H,28,33)
InChIKeyYOVXRUKFHBFIMA-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.64
Rot. Bonds6

About 4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide

4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide (PubChem CID 45268375) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
PubChem CID45268375
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Name4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
SMILESCCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C24H21ClFN5O2/c1-2-30-22(32)12-20(18-13-27-31(24(18)30)17-8-4-15(26)5-9-17)29-21-11-14(3-10-19(21)25)23(33)28-16-6-7-16/h3-5,8-13,16,29H,2,6-7H2,1H3,(H,28,33)
InChIKeyYOVXRUKFHBFIMA-UHFFFAOYSA-N
XLogP4.64
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide (CID 45268375) is 4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide is CCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3ccc(F)cc3)c21.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The InChIKey is YOVXRUKFHBFIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-2-30-22(32)12-20(18-13-27-31(24(18)30)17-8-4-15(26)5-9-17)29-21-11-14(3-10-19(21)25)23(33)28-16-6-7-16/h3-5,8-13,16,29H,2,6-7H2,1H3,(H,28,33).
What are the key properties of 4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide has a molecular weight of 465.92 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide is sourced from PubChem (CID 45268375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).