4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide

C24H20ClF2N5O2 — CID 45271770

IUPAC4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
SMILESCCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3ccc(F)cc3F)c21
InChIInChI=1S/C24H20ClF2N5O2/c1-2-31-22(33)11-19(16-12-28-32(24(16)31)21-8-4-14(26)10-18(21)27)30-20-9-13(3-7-17(20)25)23(34)29-15-5-6-15/h3-4,7-12,15,30H,2,5-6H2,1H3,(H,29,34)
InChIKeyTZRHWYWMDIRFSO-UHFFFAOYSA-N
MW483.91 g/mol
LogP4.77
Rot. Bonds6

About 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide

4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide (PubChem CID 45271770) has the molecular formula C24H20ClF2N5O2 and a molecular weight of 483.91 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
PubChem CID45271770
Molecular FormulaC24H20ClF2N5O2
Molecular Weight483.91 g/mol
Exact Mass483.13
IUPAC Name4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
SMILESCCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3ccc(F)cc3F)c21
InChIInChI=1S/C24H20ClF2N5O2/c1-2-31-22(33)11-19(16-12-28-32(24(16)31)21-8-4-14(26)10-18(21)27)30-20-9-13(3-7-17(20)25)23(34)29-15-5-6-15/h3-4,7-12,15,30H,2,5-6H2,1H3,(H,29,34)
InChIKeyTZRHWYWMDIRFSO-UHFFFAOYSA-N
XLogP4.77
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.91
LogP ≤ 54.77
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-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide (CID 45271770) is 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide is CCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3ccc(F)cc3F)c21.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The InChIKey is TZRHWYWMDIRFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O2/c1-2-31-22(33)11-19(16-12-28-32(24(16)31)21-8-4-14(26)10-18(21)27)30-20-9-13(3-7-17(20)25)23(34)29-15-5-6-15/h3-4,7-12,15,30H,2,5-6H2,1H3,(H,29,34).
What are the key properties of 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide has a molecular weight of 483.91 g/mol, XLogP of 4.77, 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-[[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide is sourced from PubChem (CID 45271770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).