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

C24H21F2N5O2 — CID 45273566

IUPACN-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1cc(=O)n(C)c2c1cnn2-c1c(F)cccc1F
InChIInChI=1S/C24H21F2N5O2/c1-13-6-7-14(23(33)28-15-8-9-15)10-19(13)29-20-11-21(32)30(2)24-16(20)12-27-31(24)22-17(25)4-3-5-18(22)26/h3-7,10-12,15,29H,8-9H2,1-2H3,(H,28,33)
InChIKeyKVJZVVVTUWLEPA-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.95
Rot. Bonds5

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

N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide (PubChem CID 45273566) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 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-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
PubChem CID45273566
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC NameN-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1cc(=O)n(C)c2c1cnn2-c1c(F)cccc1F
InChIInChI=1S/C24H21F2N5O2/c1-13-6-7-14(23(33)28-15-8-9-15)10-19(13)29-20-11-21(32)30(2)24-16(20)12-27-31(24)22-17(25)4-3-5-18(22)26/h3-7,10-12,15,29H,8-9H2,1-2H3,(H,28,33)
InChIKeyKVJZVVVTUWLEPA-UHFFFAOYSA-N
XLogP3.95
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.95
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-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide (CID 45273566) is N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide.
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-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1Nc1cc(=O)n(C)c2c1cnn2-c1c(F)cccc1F.
What is the InChIKey of N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
The InChIKey is KVJZVVVTUWLEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-13-6-7-14(23(33)28-15-8-9-15)10-19(13)29-20-11-21(32)30(2)24-16(20)12-27-31(24)22-17(25)4-3-5-18(22)26/h3-7,10-12,15,29H,8-9H2,1-2H3,(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-methylbenzamide?
N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide has a molecular weight of 449.46 g/mol, XLogP of 3.95, 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-methylbenzamide is sourced from PubChem (CID 45273566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).