2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide

C61H69FN18O10 — CID 158329258

IUPAC2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide
SMILESCNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)CCC(C)=O)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC(C)C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC3CCC3)cnn12
InChIInChI=1S/C21H24N6O3.C20H21FN6O4.C20H24N6O3/c1-22-18-11-17(24-14-6-3-7-16-20(14)30-9-8-29-16)26-21-15(12-23-27(18)21)25-19(28)10-13-4-2-5-13;1-11(28)3-4-18(29)25-14-10-23-27-17(22-2)9-16(26-20(14)27)24-13-7-12(21)8-15-19(13)31-6-5-30-15;1-12(2)9-18(27)24-14-11-22-26-17(21-3)10-16(25-20(14)26)23-13-5-4-6-15-19(13)29-8-7-28-15/h3,6-7,11-13,22H,2,4-5,8-10H2,1H3,(H,24,26)(H,25,28);7-10,22H,3-6H2,1-2H3,(H,24,26)(H,25,29);4-6,10-12,21H,7-9H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyGPUMGFIAVAVVQT-UHFFFAOYSA-N
MW1233.34 g/mol
LogP9.42
Rot. Bonds19

About 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide

2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide (PubChem CID 158329258) has the molecular formula C61H69FN18O10 and a molecular weight of 1233.34 g/mol. Its IUPAC name is 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide
PubChem CID158329258
Molecular FormulaC61H69FN18O10
Molecular Weight1233.34 g/mol
Exact Mass1232.54
IUPAC Name2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide
SMILESCNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)CCC(C)=O)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC(C)C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC3CCC3)cnn12
InChIInChI=1S/C21H24N6O3.C20H21FN6O4.C20H24N6O3/c1-22-18-11-17(24-14-6-3-7-16-20(14)30-9-8-29-16)26-21-15(12-23-27(18)21)25-19(28)10-13-4-2-5-13;1-11(28)3-4-18(29)25-14-10-23-27-17(22-2)9-16(26-20(14)27)24-13-7-12(21)8-15-19(13)31-6-5-30-15;1-12(2)9-18(27)24-14-11-22-26-17(21-3)10-16(25-20(14)26)23-13-5-4-6-15-19(13)29-8-7-28-15/h3,6-7,11-13,22H,2,4-5,8-10H2,1H3,(H,24,26)(H,25,28);7-10,22H,3-6H2,1-2H3,(H,24,26)(H,25,29);4-6,10-12,21H,7-9H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyGPUMGFIAVAVVQT-UHFFFAOYSA-N
XLogP9.42
TPSA322.50 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001233.34
LogP ≤ 59.42
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide?
The IUPAC name of 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide (CID 158329258) is 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide.
What is the SMILES notation for 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide?
The canonical SMILES for 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide is CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)CCC(C)=O)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC(C)C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC3CCC3)cnn12.
What is the InChIKey of 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide?
The InChIKey is GPUMGFIAVAVVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3.C20H21FN6O4.C20H24N6O3/c1-22-18-11-17(24-14-6-3-7-16-20(14)30-9-8-29-16)26-21-15(12-23-27(18)21)25-19(28)10-13-4-2-5-13;1-11(28)3-4-18(29)25-14-10-23-27-17(22-2)9-16(26-20(14)27)24-13-7-12(21)8-15-19(13)31-6-5-30-15;1-12(2)9-18(27)24-14-11-22-26-17(21-3)10-16(25-20(14)26)23-13-5-4-6-15-19(13)29-8-7-28-15/h3,6-7,11-13,22H,2,4-5,8-10H2,1H3,(H,24,26)(H,25,28);7-10,22H,3-6H2,1-2H3,(H,24,26)(H,25,29);4-6,10-12,21H,7-9H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide?
2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide has a molecular weight of 1233.34 g/mol, XLogP of 9.42, 19 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-oxopentanamide is sourced from PubChem (CID 158329258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).