5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23FN6O4 — CID 154678781

IUPAC5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2c(F)ccc3c2OCCO3)nc2c(C(=O)NCC(C)(C)O)cnn12
InChIInChI=1S/C20H23FN6O4/c1-20(2,29)10-23-19(28)11-9-24-27-15(22-3)8-14(26-18(11)27)25-16-12(21)4-5-13-17(16)31-7-6-30-13/h4-5,8-9,22,29H,6-7,10H2,1-3H3,(H,23,28)(H,25,26)
InChIKeyAKYHNGIUAQDPAD-UHFFFAOYSA-N
MW430.44 g/mol
LogP1.93
Rot. Bonds6

About 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154678781) has the molecular formula C20H23FN6O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154678781
Molecular FormulaC20H23FN6O4
Molecular Weight430.44 g/mol
Exact Mass430.18
IUPAC Name5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2c(F)ccc3c2OCCO3)nc2c(C(=O)NCC(C)(C)O)cnn12
InChIInChI=1S/C20H23FN6O4/c1-20(2,29)10-23-19(28)11-9-24-27-15(22-3)8-14(26-18(11)27)25-16-12(21)4-5-13-17(16)31-7-6-30-13/h4-5,8-9,22,29H,6-7,10H2,1-3H3,(H,23,28)(H,25,26)
InChIKeyAKYHNGIUAQDPAD-UHFFFAOYSA-N
XLogP1.93
TPSA122.04 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166630118
N-[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534346
N-(2-methoxy-4-piperidin-1-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534347
5-[(3R)-3-aminopiperidin-1-yl]-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534348
N-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534350
N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534352
5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534357
N-(2-methoxy-4-pyrrolidin-1-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534358
N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166630811
N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166632148
5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383312
1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamoyl)-1H-pyrazol-5-ylamino)methyl)pyridin-2-yl)urea
CID 44442415

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154678781) is 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2c(F)ccc3c2OCCO3)nc2c(C(=O)NCC(C)(C)O)cnn12.
What is the InChIKey of 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AKYHNGIUAQDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O4/c1-20(2,29)10-23-19(28)11-9-24-27-15(22-3)8-14(26-18(11)27)25-16-12(21)4-5-13-17(16)31-7-6-30-13/h4-5,8-9,22,29H,6-7,10H2,1-3H3,(H,23,28)(H,25,26).
What are the key properties of 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154678781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).