(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone

C19H24N6O — CID 124963028

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccn3ccnc3n2)n[nH]1
InChIInChI=1S/C19H24N6O/c1-19(2,3)16-12-14(22-23-16)17(26)25-9-5-4-6-15(25)13-7-10-24-11-8-20-18(24)21-13/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyHNEOGFOEXYZWAF-OAHLLOKOSA-N
MW352.44 g/mol
LogP3.12
Rot. Bonds2

About (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone

(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone (PubChem CID 124963028) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone
PubChem CID124963028
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccn3ccnc3n2)n[nH]1
InChIInChI=1S/C19H24N6O/c1-19(2,3)16-12-14(22-23-16)17(26)25-9-5-4-6-15(25)13-7-10-24-11-8-20-18(24)21-13/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyHNEOGFOEXYZWAF-OAHLLOKOSA-N
XLogP3.12
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone (CID 124963028) is (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone is CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccn3ccnc3n2)n[nH]1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone?
The InChIKey is HNEOGFOEXYZWAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N6O/c1-19(2,3)16-12-14(22-23-16)17(26)25-9-5-4-6-15(25)13-7-10-24-11-8-20-18(24)21-13/h7-8,10-12,15H,4-6,9H2,1-3H3,(H,22,23)/t15-/m1/s1.
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 124963028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).