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

C25H24FN5O2 — CID 25271185

IUPACN-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
SMILESCCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2C)c2cnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C25H24FN5O2/c1-3-30-23(32)13-22(20-14-27-31(25(20)30)19-10-6-17(26)7-11-19)29-21-12-16(5-4-15(21)2)24(33)28-18-8-9-18/h4-7,10-14,18,29H,3,8-9H2,1-2H3,(H,28,33)
InChIKeyWHTJJXZFOGJJAX-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.29
Rot. Bonds6

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

N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide (PubChem CID 25271185) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
PubChem CID25271185
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
SMILESCCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2C)c2cnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C25H24FN5O2/c1-3-30-23(32)13-22(20-14-27-31(25(20)30)19-10-6-17(26)7-11-19)29-21-12-16(5-4-15(21)2)24(33)28-18-8-9-18/h4-7,10-14,18,29H,3,8-9H2,1-2H3,(H,28,33)
InChIKeyWHTJJXZFOGJJAX-UHFFFAOYSA-N
XLogP4.29
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide (CID 25271185) is N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide is CCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2C)c2cnn(-c3ccc(F)cc3)c21.
What is the InChIKey of N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
The InChIKey is WHTJJXZFOGJJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-3-30-23(32)13-22(20-14-27-31(25(20)30)19-10-6-17(26)7-11-19)29-21-12-16(5-4-15(21)2)24(33)28-18-8-9-18/h4-7,10-14,18,29H,3,8-9H2,1-2H3,(H,28,33).
What are the key properties of N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide has a molecular weight of 445.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[7-ethyl-1-(4-fluorophenyl)-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide is sourced from PubChem (CID 25271185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).