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

C23H18ClF2N5O2 — CID 25270849

IUPAC4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
SMILESCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3ccc(F)cc3F)c21
InChIInChI=1S/C23H18ClF2N5O2/c1-30-21(32)10-18(15-11-27-31(23(15)30)20-7-3-13(25)9-17(20)26)29-19-8-12(2-6-16(19)24)22(33)28-14-4-5-14/h2-3,6-11,14,29H,4-5H2,1H3,(H,28,33)
InChIKeyGMAPGSSLWYRDFG-UHFFFAOYSA-N
MW469.88 g/mol
LogP4.29
Rot. Bonds5

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

4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide (PubChem CID 25270849) has the molecular formula C23H18ClF2N5O2 and a molecular weight of 469.88 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
PubChem CID25270849
Molecular FormulaC23H18ClF2N5O2
Molecular Weight469.88 g/mol
Exact Mass469.11
IUPAC Name4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
SMILESCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3ccc(F)cc3F)c21
InChIInChI=1S/C23H18ClF2N5O2/c1-30-21(32)10-18(15-11-27-31(23(15)30)20-7-3-13(25)9-17(20)26)29-19-8-12(2-6-16(19)24)22(33)28-14-4-5-14/h2-3,6-11,14,29H,4-5H2,1H3,(H,28,33)
InChIKeyGMAPGSSLWYRDFG-UHFFFAOYSA-N
XLogP4.29
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 54.29
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-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide (CID 25270849) is 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-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-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide is Cn1c(=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-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The InChIKey is GMAPGSSLWYRDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5O2/c1-30-21(32)10-18(15-11-27-31(23(15)30)20-7-3-13(25)9-17(20)26)29-19-8-12(2-6-16(19)24)22(33)28-14-4-5-14/h2-3,6-11,14,29H,4-5H2,1H3,(H,28,33).
What are the key properties of 4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
4-chloro-N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide has a molecular weight of 469.88 g/mol, XLogP of 4.29, 5 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-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide is sourced from PubChem (CID 25270849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).