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

C23H18F3N5O2 — CID 45272652

IUPACN-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide
SMILESCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2F)c2cnn(-c3c(F)cccc3F)c21
InChIInChI=1S/C23H18F3N5O2/c1-30-20(32)10-18(14-11-27-31(23(14)30)21-16(25)3-2-4-17(21)26)29-19-9-12(5-8-15(19)24)22(33)28-13-6-7-13/h2-5,8-11,13,29H,6-7H2,1H3,(H,28,33)
InChIKeyLULPDPCVNZTIIV-UHFFFAOYSA-N
MW453.42 g/mol
LogP3.78
Rot. Bonds5

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

N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide (PubChem CID 45272652) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide
PubChem CID45272652
Molecular FormulaC23H18F3N5O2
Molecular Weight453.42 g/mol
Exact Mass453.14
IUPAC NameN-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide
SMILESCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2F)c2cnn(-c3c(F)cccc3F)c21
InChIInChI=1S/C23H18F3N5O2/c1-30-20(32)10-18(14-11-27-31(23(14)30)21-16(25)3-2-4-17(21)26)29-19-9-12(5-8-15(19)24)22(33)28-13-6-7-13/h2-5,8-11,13,29H,6-7H2,1H3,(H,28,33)
InChIKeyLULPDPCVNZTIIV-UHFFFAOYSA-N
XLogP3.78
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide?
The IUPAC name of N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide (CID 45272652) is N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide?
The canonical SMILES for N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide is Cn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2F)c2cnn(-c3c(F)cccc3F)c21.
What is the InChIKey of N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide?
The InChIKey is LULPDPCVNZTIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c1-30-20(32)10-18(14-11-27-31(23(14)30)21-16(25)3-2-4-17(21)26)29-19-9-12(5-8-15(19)24)22(33)28-13-6-7-13/h2-5,8-11,13,29H,6-7H2,1H3,(H,28,33).
What are the key properties of N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide?
N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide has a molecular weight of 453.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-fluorobenzamide is sourced from PubChem (CID 45272652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).