N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide

C21H24FN5O2 — CID 67064741

IUPACN-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(N3CCC(F)C3)n2n1
InChIInChI=1S/C21H24FN5O2/c1-13-10-18-23-17(11-19(27(18)25-13)26-9-8-16(22)12-26)24-20(28)14-4-6-15(7-5-14)21(2,3)29/h4-7,10-11,16,29H,8-9,12H2,1-3H3,(H,23,24,28)
InChIKeyZYUKLUSFJNUMBB-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.07
Rot. Bonds4

About N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide

N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide (PubChem CID 67064741) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
PubChem CID67064741
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(N3CCC(F)C3)n2n1
InChIInChI=1S/C21H24FN5O2/c1-13-10-18-23-17(11-19(27(18)25-13)26-9-8-16(22)12-26)24-20(28)14-4-6-15(7-5-14)21(2,3)29/h4-7,10-11,16,29H,8-9,12H2,1-3H3,(H,23,24,28)
InChIKeyZYUKLUSFJNUMBB-UHFFFAOYSA-N
XLogP3.07
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide (CID 67064741) is N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide is Cc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(N3CCC(F)C3)n2n1.
What is the InChIKey of N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is ZYUKLUSFJNUMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-13-10-18-23-17(11-19(27(18)25-13)26-9-8-16(22)12-26)24-20(28)14-4-6-15(7-5-14)21(2,3)29/h4-7,10-11,16,29H,8-9,12H2,1-3H3,(H,23,24,28).
What are the key properties of N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 397.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-fluoropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 67064741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).